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

Systemtic Name: 3-(3-fluorophenyl)-3-(1-methylindol-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(3-fluorophenyl)-3-(1-methylindol-3-yl)propan-1-one CAS Name: 3-(3-fluorophenyl)-3-(1-methyl-3-indolyl)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(3-fluorophenyl)-3-(1-methylindol-3-yl)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-(3-fluorophenyl)-3-(1-methylindol-3-yl)propan-1-one Formula: C29H30FN3O MolecularWeight: 455.566403

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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(=CC=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C29H30FN3O/c1-31-21-27(25-12-5-6-13-28(25)31)26(23-10-7-11-24(30)18-23)19-29(34)33-16-14-32(15-17-33)20-22-8-3-2-4-9-22/h2-13,18,21,26H,14-17,19-20H2,1H3