N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-chloro-4,6-dimethyl-phenyl)acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-chloro-4,6-dimethylphenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-chloro-4,6-dimethyl-phenyl)acetamide Formula: C22H28ClN3O MolecularWeight: 385.93022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H28ClN3O/c1-17-13-18(2)22(20(23)14-17)24-21(27)16-26-10-6-9-25(11-12-26)15-19-7-4-3-5-8-19/h3-5,7-8,13-14H,6,9-12,15-16H2,1-2H3,(H,24,27)