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

Systemtic Name: N-(4-azanylcyclohexyl)-3-benzamido-4-[4-(3-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-[(3-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-benzamido-4-(4-m-anisoyl-1,4-diazepan-1-yl)benzamide Formula: C33H39N5O4 MolecularWeight: 569.69386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H39N5O4/c1-42-28-10-5-9-25(21-28)33(41)38-18-6-17-37(19-20-38)30-16-11-24(32(40)35-27-14-12-26(34)13-15-27)22-29(30)36-31(39)23-7-3-2-4-8-23/h2-5,7-11,16,21-22,26-27H,6,12-15,17-20,34H2,1H3,(H,35,40)(H,36,39)