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

Systemtic Name: N-(2-azanylcyclohexyl)-1-[2-(4-chloranylphenoxy)ethanoyl]-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-1-[2-(4-chlorophenoxy)-1-oxoethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C30H31ClN4O4 MolecularWeight: 547.04454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)COC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(C(C1)N)NC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)COC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H31ClN4O4/c31-21-11-13-22(14-12-21)39-18-29(37)35-26-15-10-20(30(38)34-24-9-5-4-8-23(24)32)16-25(26)33-28(36)17-27(35)19-6-2-1-3-7-19/h1-3,6-7,10-16,23-24,27H,4-5,8-9,17-18,32H2,(H,33,36)(H,34,38)