2-[(3,5-dimethylphenyl)amino]-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(3,5-dimethylphenyl)amino]-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone CAS Name: 2-(3,5-dimethylanilino)-1-[4-(diphenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone Traditional Name: 1-(4-benzhydrylpiperazino)-2-(3,5-dimethylanilino)ethanone Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H31N3O/c1-21-17-22(2)19-25(18-21)28-20-26(31)29-13-15-30(16-14-29)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,17-19,27-28H,13-16,20H2,1-2H3