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

Systemtic Name: 3-acetamido-N-(4-azanylcyclohexyl)-4-[4-(phenylcarbonyl)-1,4-diazepan-1-yl]benzamide Openeye Name: 3-acetamido-N-(4-aminocyclohexyl)-4-(4-benzoyl-1,4-diazepan-1-yl)benzamide CAS Name: 3-acetamido-N-(4-aminocyclohexyl)-4-(4-benzoyl-1,4-diazepan-1-yl)benzamide IUPAC Name: 3-acetamido-N-(4-aminocyclohexyl)-4-(4-benzoyl-1,4-diazepan-1-yl)benzamide Traditional Name: 3-acetamido-N-(4-aminocyclohexyl)-4-(4-benzoyl-1,4-diazepan-1-yl)benzamide Formula: C27H35N5O3 MolecularWeight: 477.5985

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O3/c1-19(33)29-24-18-21(26(34)30-23-11-9-22(28)10-12-23)8-13-25(24)31-14-5-15-32(17-16-31)27(35)20-6-3-2-4-7-20/h2-4,6-8,13,18,22-23H,5,9-12,14-17,28H2,1H3,(H,29,33)(H,30,34)