N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-methyl-butanamide Openeye Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-methyl-butanamide CAS Name: N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-methylbutanamide IUPAC Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-methylbutanamide Traditional Name: N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]-3-methyl-butyramide Formula: C23H28ClN3O2 MolecularWeight: 413.94032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)CC(C)C)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)CC(C)C)Cl

InChI

InChI=1S/C23H28ClN3O2/c1-16(2)14-22(28)25-18-8-9-21(20(24)15-18)26-10-12-27(13-11-26)23(29)19-7-5-4-6-17(19)3/h4-9,15-16H,10-14H2,1-3H3,(H,25,28)