3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(1-methylindol-3-yl)-3-(m-tolyl)propan-1-one CAS Name: 3-(1-methyl-3-indolyl)-3-(3-methylphenyl)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-(1-methylindol-3-yl)-3-(m-tolyl)propan-1-one Formula: C30H33N3O MolecularWeight: 451.60252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CN(C5=CC=CC=C54)C

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CN(C5=CC=CC=C54)C

InChI

InChI=1S/C30H33N3O/c1-23-9-8-12-25(19-23)27(28-22-31(2)29-14-7-6-13-26(28)29)20-30(34)33-17-15-32(16-18-33)21-24-10-4-3-5-11-24/h3-14,19,22,27H,15-18,20-21H2,1-2H3