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

Systemtic Name: 4-[(Z)-[3,5-dimethyl-4-(2-phenylazanylethyl)pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(Z)-[4-(2-anilinoethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(Z)-[4-(2-anilinoethyl)-3,5-dimethyl-2-pyrrolylidene]methyl]-5-(4-pyrimidinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(Z)-[4-(2-anilinoethyl)-3,5-dimethylpyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(Z)-[4-(2-anilinoethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-(4-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=NC=C3)C)CCNC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O/c1-14-17(8-11-24-16-6-4-3-5-7-16)15(2)26-20(14)12-18-21(27-28-22(18)29)19-9-10-23-13-25-19/h3-7,9-10,12-13,24H,8,11H2,1-2H3,(H2,27,28,29)/b20-12-