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

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

Isomeric SMILES

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

InChI

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