2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-4-[(4-methoxyphenyl)methyl]-5-oxidanylidene-3H-1,4-benzodiazepine-3-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-4-[(4-methoxyphenyl)methyl]-5-oxidanylidene-3H-1,4-benzodiazepine-3-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-4-[(4-methoxyphenyl)methyl]-5-oxo-3H-1,4-benzodiazepine-3-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-4-[(4-methoxyphenyl)methyl]-5-oxo-3H-1,4-benzodiazepine-3-carboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-4-[(4-methoxyphenyl)methyl]-5-oxo-3H-1,4-benzodiazepine-3-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-5-keto-4-p-anisyl-3H-1,4-benzodiazepine-3-carboxamide Formula: C31H31N3O5 MolecularWeight: 525.59494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(C(=NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4)OCO5)C(=O)NC6CCCCC6

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(C(=NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4)OCO5)C(=O)NC6CCCCC6

InChI

InChI=1S/C31H31N3O5/c1-37-23-14-11-20(12-15-23)18-34-29(30(35)32-22-7-3-2-4-8-22)28(21-13-16-26-27(17-21)39-19-38-26)33-25-10-6-5-9-24(25)31(34)36/h5-6,9-17,22,29H,2-4,7-8,18-19H2,1H3,(H,32,35)