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

Systemtic Name: 4-[(Z)-[3,5-dimethyl-4-(piperidin-1-ylmethyl)pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(Z)-[3,5-dimethyl-4-(1-piperidylmethyl)pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(Z)-[3,5-dimethyl-4-(1-piperidinylmethyl)-2-pyrrolylidene]methyl]-5-(2-pyrazinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(Z)-[3,5-dimethyl-4-(piperidin-1-ylmethyl)pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(Z)-[3,5-dimethyl-4-(piperidinomethyl)pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-3-pyrazolin-3-one Formula: C20H24N6O MolecularWeight: 364.44416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O/c1-13-16(12-26-8-4-3-5-9-26)14(2)23-17(13)10-15-19(24-25-20(15)27)18-11-21-6-7-22-18/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H2,24,25,27)/b17-10-