3-(1-methylindol-3-yl)-1-[4-(phenylmethyl)piperidin-1-yl]-3-thiophen-3-yl-propan-1-one

Systemtic Name: 3-(1-methylindol-3-yl)-1-[4-(phenylmethyl)piperidin-1-yl]-3-thiophen-3-yl-propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-3-(1-methylindol-3-yl)-3-(3-thienyl)propan-1-one CAS Name: 3-(1-methyl-3-indolyl)-1-[4-(phenylmethyl)-1-piperidinyl]-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-(1-methylindol-3-yl)-3-thiophen-3-ylpropan-1-one Traditional Name: 1-(4-benzylpiperidino)-3-(1-methylindol-3-yl)-3-(3-thienyl)propan-1-one Formula: C28H30N2OS MolecularWeight: 442.6156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCC(CC3)CC4=CC=CC=C4)C5=CSC=C5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCC(CC3)CC4=CC=CC=C4)C5=CSC=C5

InChI

InChI=1S/C28H30N2OS/c1-29-19-26(24-9-5-6-10-27(24)29)25(23-13-16-32-20-23)18-28(31)30-14-11-22(12-15-30)17-21-7-3-2-4-8-21/h2-10,13,16,19-20,22,25H,11-12,14-15,17-18H2,1H3