4-[(E)-[3,5-dimethyl-4-(piperidin-1-ylmethyl)pyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(E)-[3,5-dimethyl-4-(piperidin-1-ylmethyl)pyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[3,5-dimethyl-4-(1-piperidylmethyl)pyrrol-2-ylidene]methyl]-5-(2-thienyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[3,5-dimethyl-4-(1-piperidinylmethyl)-2-pyrrolylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[3,5-dimethyl-4-(piperidin-1-ylmethyl)pyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[3,5-dimethyl-4-(piperidinomethyl)pyrrol-2-ylidene]methyl]-5-(2-thienyl)-3-pyrazolin-3-one Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1=CC2=C(NNC2=O)C3=CC=CS3)C)CN4CCCCC4

Isomeric SMILES

CC\1=C(C(=N/C1=C/C2=C(NNC2=O)C3=CC=CS3)C)CN4CCCCC4

InChI

InChI=1S/C20H24N4OS/c1-13-16(12-24-8-4-3-5-9-24)14(2)21-17(13)11-15-19(22-23-20(15)25)18-7-6-10-26-18/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H2,22,23,25)/b17-11+