2-azanyl-1-[4-(diphenylmethyl)piperazin-1-yl]-3-(2-methylphenyl)propan-1-one

Systemtic Name: 2-azanyl-1-[4-(diphenylmethyl)piperazin-1-yl]-3-(2-methylphenyl)propan-1-one Openeye Name: 2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-(o-tolyl)propan-1-one CAS Name: 2-amino-1-[4-(diphenylmethyl)-1-piperazinyl]-3-(2-methylphenyl)-1-propanone IUPAC Name: 2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one Traditional Name: 2-amino-1-(4-benzhydrylpiperazino)-3-(o-tolyl)propan-1-one Formula: C27H31N3O MolecularWeight: 413.55454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=CC=C1CC(C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C27H31N3O/c1-21-10-8-9-15-24(21)20-25(28)27(31)30-18-16-29(17-19-30)26(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,25-26H,16-20,28H2,1H3