N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-chloro-2-methoxy-5-methyl-phenyl)acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-chloro-2-methoxy-5-methyl-phenyl)acetamide Formula: C22H28ClN3O2 MolecularWeight: 401.92962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28ClN3O2/c1-17-13-20(21(28-2)14-19(17)23)24-22(27)16-26-10-6-9-25(11-12-26)15-18-7-4-3-5-8-18/h3-5,7-8,13-14H,6,9-12,15-16H2,1-2H3,(H,24,27)