4-[(Z)-[3,5-dimethyl-4-(2-phenylazanylethyl)pyrrol-2-ylidene]methyl]-5-pyrimidin-2-yl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(Z)-[3,5-dimethyl-4-(2-phenylazanylethyl)pyrrol-2-ylidene]methyl]-5-pyrimidin-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(Z)-[4-(2-anilinoethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyrimidin-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(Z)-[4-(2-anilinoethyl)-3,5-dimethyl-2-pyrrolylidene]methyl]-5-(2-pyrimidinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(Z)-[4-(2-anilinoethyl)-3,5-dimethylpyrrol-2-ylidene]methyl]-5-pyrimidin-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(Z)-[4-(2-anilinoethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-(2-pyrimidyl)-3-pyrazolin-3-one Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1=CC2=C(NNC2=O)C3=NC=CC=N3)C)CCNC4=CC=CC=C4

Isomeric SMILES

CC\1=C(C(=N/C1=C\C2=C(NNC2=O)C3=NC=CC=N3)C)CCNC4=CC=CC=C4

InChI

InChI=1S/C22H22N6O/c1-14-17(9-12-23-16-7-4-3-5-8-16)15(2)26-19(14)13-18-20(27-28-22(18)29)21-24-10-6-11-25-21/h3-8,10-11,13,23H,9,12H2,1-2H3,(H2,27,28,29)/b19-13-