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

Systemtic Name: 3-acetamido-N-(4-azanylcyclohexyl)-4-[4-(3-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]benzamide Openeye Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]benzamide CAS Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-[(3-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]benzamide Traditional Name: 3-acetamido-N-(4-aminocyclohexyl)-4-(4-m-anisoyl-1,4-diazepan-1-yl)benzamide Formula: C28H37N5O4 MolecularWeight: 507.62448

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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)C4=CC(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H37N5O4/c1-19(34)30-25-18-20(27(35)31-23-10-8-22(29)9-11-23)7-12-26(25)32-13-4-14-33(16-15-32)28(36)21-5-3-6-24(17-21)37-2/h3,5-7,12,17-18,22-23H,4,8-11,13-16,29H2,1-2H3,(H,30,34)(H,31,35)