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

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-methyl-benzamide Openeye Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-4-methyl-benzamide CAS Name: N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-methylbenzamide IUPAC Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide Traditional Name: N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]-4-methyl-benzamide Formula: C26H26ClN3O2 MolecularWeight: 447.95654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl

InChI

InChI=1S/C26H26ClN3O2/c1-18-7-9-20(10-8-18)25(31)28-21-11-12-24(23(27)17-21)29-13-15-30(16-14-29)26(32)22-6-4-3-5-19(22)2/h3-12,17H,13-16H2,1-2H3,(H,28,31)