N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(2-methoxyethanoyl)-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(2-methoxyethanoyl)-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(2-methoxyacetyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(2-methoxy-1-oxoethyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(2-methoxyacetyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-keto-1-(2-methoxyacetyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NCC3CCCC(C3)CN)C4=CC=CC=C4

Isomeric SMILES

COCC(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NCC3CCCC(C3)CN)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O4/c1-35-17-26(33)31-23-11-10-21(27(34)29-16-19-7-5-6-18(12-19)15-28)13-22(23)30-25(32)14-24(31)20-8-3-2-4-9-20/h2-4,8-11,13,18-19,24H,5-7,12,14-17,28H2,1H3,(H,29,34)(H,30,32)