N-(4-azanylcyclohexyl)-3-benzamido-4-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-benzamido-4-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-[(3-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]benzamide Formula: C32H36ClN5O3 MolecularWeight: 574.11294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H36ClN5O3/c33-25-9-4-8-24(20-25)32(41)38-17-5-16-37(18-19-38)29-15-10-23(31(40)35-27-13-11-26(34)12-14-27)21-28(29)36-30(39)22-6-2-1-3-7-22/h1-4,6-10,15,20-21,26-27H,5,11-14,16-19,34H2,(H,35,40)(H,36,39)