5-[2-(4-ethanoyl-4-phenyl-piperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one

Systemtic Name: 5-[2-(4-ethanoyl-4-phenyl-piperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one Openeye Name: 5-[2-(4-acetyl-4-phenyl-1-piperidyl)-2-oxo-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[4,3-c]pyridin-3-one CAS Name: 5-[2-(4-acetyl-4-phenyl-1-piperidinyl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one IUPAC Name: 5-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one Traditional Name: 5-[2-(4-acetyl-4-phenyl-piperidino)-2-keto-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[4,3-c]pyridin-3-one Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=CC4=C(C3=S)C(=O)NN4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1(CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=CC4=C(C3=S)C(=O)NN4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3S/c1-18(32)27(20-10-6-3-7-11-20)13-16-30(17-14-27)25(34)23(19-8-4-2-5-9-19)31-15-12-21-22(26(31)35)24(33)29-28-21/h2-12,15,23H,13-14,16-17H2,1H3,(H2,28,29,33)