N-(2-azanylethyl)-2-cyclohexyl-4-oxidanylidene-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(2-azanylethyl)-2-cyclohexyl-4-oxidanylidene-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminoethyl)-2-cyclohexyl-4-oxo-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminoethyl)-2-cyclohexyl-4-oxo-1-(1-oxo-3-phenylpropyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminoethyl)-2-cyclohexyl-4-oxo-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminoethyl)-2-cyclohexyl-1-hydrocinnamoyl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)CCC4=CC=CC=C4)C=CC(=C3)C(=O)NCCN

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)CCC4=CC=CC=C4)C=CC(=C3)C(=O)NCCN

InChI

InChI=1S/C27H34N4O3/c28-15-16-29-27(34)21-12-13-23-22(17-21)30-25(32)18-24(20-9-5-2-6-10-20)31(23)26(33)14-11-19-7-3-1-4-8-19/h1,3-4,7-8,12-13,17,20,24H,2,5-6,9-11,14-16,18,28H2,(H,29,34)(H,30,32)