Basic information
- CAS
70753-03-6- Standard SMILES
CN1CCN(CCCn2cc(C3c4ccccc4C=CN3C(=O)c3ccccc3)c3ccccc32)CC1- InChIKey
LKHLOJIELPEWFP-UHFFFAOYSA-N- Molecular formula
- C32H34N4O
- Average molar mass
- 490.6 g/mol
- Monoisotopic mass
- 490.27326172
Names & identifiers
- Preferred name
- Isoquinoline, 1,2-dihydro-2-benzoyl-1-(1-(3-(4-methyl-l-piperazinyl)propyl)-3-indolyl)-
- IUPAC
- [1-[1-[3-(4-methylpiperazin-1-yl)propyl]indol-3-yl]-1H-isoquinolin-2-yl]-phenylmethanone
Names & synonyms
BRN 0732140Isoquinoline, 1,2-dihydro-2-benzoyl-1-(1-(3-(4-methyl-l-piperazinyl)propyl)-3-indolyl)-70753-03-65-23-09-00413 (Beilstein Handbook Reference)Piperazine, 1-methyl-4-(3-(3-(2'-benzoyl-1',2'-dihydroisoquinolin-1'-yl)-1-indoly)propyl)-RefChem:349961DTXSID10991011[1-{1-[3-(4-Methylpiperazin-1-yl)propyl]-1H-indol-3-yl}isoquinolin-2(1H)-yl](phenyl)methanone
Database identifiers
- CAS
70753-03-6- PubChem CID
- 51162
- DTXSID
DTXSID10991011
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 31.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 786
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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