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

Systemtic Name: 4-[(Z)-[3,5-dimethyl-4-(piperidin-1-ylmethyl)pyrrol-2-ylidene]methyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(Z)-[3,5-dimethyl-4-(1-piperidylmethyl)pyrrol-2-ylidene]methyl]-5-(3-pyridyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(Z)-[3,5-dimethyl-4-(1-piperidinylmethyl)-2-pyrrolylidene]methyl]-5-(3-pyridinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(Z)-[3,5-dimethyl-4-(piperidin-1-ylmethyl)pyrrol-2-ylidene]methyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(Z)-[3,5-dimethyl-4-(piperidinomethyl)pyrrol-2-ylidene]methyl]-5-(3-pyridyl)-3-pyrazolin-3-one Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O/c1-14-18(13-26-9-4-3-5-10-26)15(2)23-19(14)11-17-20(24-25-21(17)27)16-7-6-8-22-12-16/h6-8,11-12H,3-5,9-10,13H2,1-2H3,(H2,24,25,27)/b19-11-