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

Systemtic Name: 3-(4-chlorophenyl)-3-(1-methylindol-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-3-(1-methylindol-3-yl)propan-1-one CAS Name: 3-(4-chlorophenyl)-3-(1-methyl-3-indolyl)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-3-(1-methylindol-3-yl)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-(4-chlorophenyl)-3-(1-methylindol-3-yl)propan-1-one Formula: C29H30ClN3O MolecularWeight: 472.021

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H30ClN3O/c1-31-21-27(25-9-5-6-10-28(25)31)26(23-11-13-24(30)14-12-23)19-29(34)33-17-15-32(16-18-33)20-22-7-3-2-4-8-22/h2-14,21,26H,15-20H2,1H3