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Basic information
- Standard SMILES
Cc1ccc(-c2ccc3c(c2)C=C(C(=O)NC2CCC(CN(C)C4CCOCC4)CC2)CCC3)cc1- InChIKey
XCQWZPWMGHYRFQ-UHFFFAOYSA-N- Molecular formula
- C32H42N2O2
- Average molar mass
- 486.7 g/mol
- Monoisotopic mass
- 486.32462859
Names & identifiers
- Preferred name
- trans-2-(4-methylphenyl)-N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]cyclohexyl]-6,7-dihydro-5H-benzocycloheptene-8-carboxamide
- IUPAC
- N-[4-[[methyl(oxan-4-yl)amino]methyl]cyclohexyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide
Names & synonyms
SCHEMBL7221437SCHEMBL7221440XCQWZPWMGHYRFQ-IQBDUEADSA-Ntrans-2-(4-methylphenyl)-N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]cyclohexyl]-6,7-dihydro-5H-benzocycloheptene-8-carboxamide
Database identifiers
- PubChem CID
- 21362822
Properties
Computed structural propertiesFilling in
- XLogP
- 6.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 728
Related reactions
1 records
Compound notes
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