1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-3-(p-chlorophenyl)-1-(3-(diisopropylamino)propyl)-

HCID 47178

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Basic information

CAS: 64058-64-6
Standard SMILES: CC(C)N(CCCN1C(=O)C(c2ccc(Cl)cc2)CCc2ccccc21)C(C)C
InChIKey: ICQVNPHZLORXIG-UHFFFAOYSA-N
Molecular formula: C25H33ClN2O
Average molar mass: 413 g/mol
Monoisotopic mass: 412.2281414

Names & identifiers

Preferred name: 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-3-(p-chlorophenyl)-1-(3-(diisopropylamino)propyl)-
IUPAC: 3-(4-chlorophenyl)-1-[3-[di(propan-2-yl)amino]propyl]-4,5-dihydro-3H-1-benzazepin-2-one
English name: 2,3,4,5-Tetrahydro-3-(p-chlorophenyl)-1-[3-(diisopropylamino)propyl]-1H-1-benzazepin-2-one
Molecular formula: C25H33ClN2O
Molecular weight: 413

Names & synonyms

BRN 151286564058-64-63-(p-Chlorophenyl)-1-(3-(diisopropylamino)propyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-3-(p-chlorophenyl)-1-(3-(diisopropylamino)propyl)-RefChem:237222DTXSID509825042,3,4,5-Tetrahydro-3-(p-chlorophenyl)-1-[3-(diisopropylamino)propyl]-1H-1-benzazepin-2-oneDB-3021553-(4-Chlorophenyl)-1-{3-[di(propan-2-yl)amino]propyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one2H-1-Benzazepin-2-one, 1-[3-[bis(1-methylethyl)amino]propyl]-3-(4-chlorophenyl)-1,3,4,5-tetrahydro-

Database identifiers

CAS: 64058-64-6
PubChem CID: 47178
DTXSID: DTXSID50982504
Nikkaji: J149.234I

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 507

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