N-(4-azanylcyclohexyl)-1-[2-(4-chloranylphenoxy)ethanoyl]-2-cyclohexyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-[2-(4-chloranylphenoxy)ethanoyl]-2-cyclohexyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)-1-oxoethyl]-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-2-cyclohexyl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C30H37ClN4O4 MolecularWeight: 553.09218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)COC4=CC=C(C=C4)Cl)C=CC(=C3)C(=O)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)COC4=CC=C(C=C4)Cl)C=CC(=C3)C(=O)NC5CCC(CC5)N

InChI

InChI=1S/C30H37ClN4O4/c31-21-7-13-24(14-8-21)39-18-29(37)35-26-15-6-20(30(38)33-23-11-9-22(32)10-12-23)16-25(26)34-28(36)17-27(35)19-4-2-1-3-5-19/h6-8,13-16,19,22-23,27H,1-5,9-12,17-18,32H2,(H,33,38)(H,34,36)