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

Systemtic Name: N-[4-[[4-(4-chloranyl-2-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(4-chloro-2-methyl-benzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(4-chloro-2-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(4-chloro-2-methylbenzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(4-chloro-2-methyl-benzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H26ClN3O2/c1-16-14-19(23)6-9-21(16)22(28)26-11-3-10-25(12-13-26)15-18-4-7-20(8-5-18)24-17(2)27/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)