1-(1H-indol-3-yl)-3-(4-methylphenyl)-2-oxidanyl-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

Systemtic Name: 1-(1H-indol-3-yl)-3-(4-methylphenyl)-2-oxidanyl-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one Openeye Name: 2-hydroxy-1-(1H-indol-3-yl)-3-[4-(1-piperidyl)-1-piperidyl]-3-(p-tolyl)propan-1-one CAS Name: 2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-[4-(1-piperidinyl)-1-piperidinyl]-1-propanone IUPAC Name: 2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one Traditional Name: 2-hydroxy-1-(1H-indol-3-yl)-3-(4-piperidinopiperidino)-3-(p-tolyl)propan-1-one Formula: C28H35N3O2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C(=O)C2=CNC3=CC=CC=C32)O)N4CCC(CC4)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C(=O)C2=CNC3=CC=CC=C32)O)N4CCC(CC4)N5CCCCC5

InChI

InChI=1S/C28H35N3O2/c1-20-9-11-21(12-10-20)26(31-17-13-22(14-18-31)30-15-5-2-6-16-30)28(33)27(32)24-19-29-25-8-4-3-7-23(24)25/h3-4,7-12,19,22,26,28-29,33H,2,5-6,13-18H2,1H3