3-acetamido-N-(4-azanylcyclohexyl)-4-[4-[2-(4-methoxyphenyl)ethanoyl]-1,4-diazepan-1-yl]benzamide

Systemtic Name: 3-acetamido-N-(4-azanylcyclohexyl)-4-[4-[2-(4-methoxyphenyl)ethanoyl]-1,4-diazepan-1-yl]benzamide Openeye Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]benzamide CAS Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-[2-(4-methoxyphenyl)-1-oxoethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]benzamide Traditional Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]benzamide Formula: C29H39N5O4 MolecularWeight: 521.65106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCCN(CC3)C(=O)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCCN(CC3)C(=O)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C29H39N5O4/c1-20(35)31-26-19-22(29(37)32-24-9-7-23(30)8-10-24)6-13-27(26)33-14-3-15-34(17-16-33)28(36)18-21-4-11-25(38-2)12-5-21/h4-6,11-13,19,23-24H,3,7-10,14-18,30H2,1-2H3,(H,31,35)(H,32,37)