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

Systemtic Name: 3-acetamido-N-(4-azanylcyclohexyl)-4-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]benzamide Openeye Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]benzamide CAS Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]benzamide IUPAC Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]benzamide Traditional Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]benzamide Formula: C28H37N5O3 MolecularWeight: 491.62508

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H37N5O3/c1-20(34)30-25-19-22(28(36)31-24-11-9-23(29)10-12-24)8-13-26(25)32-14-5-15-33(17-16-32)27(35)18-21-6-3-2-4-7-21/h2-4,6-8,13,19,23-24H,5,9-12,14-18,29H2,1H3,(H,30,34)(H,31,36)