4-[(E)-[3-cyclopropyl-5-methyl-4-(2-pyrrolidin-1-ylethyl)pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-(2-pyrrolidin-1-ylethyl)pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-(2-pyrrolidin-1-ylethyl)pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-[2-(1-pyrrolidinyl)ethyl]-2-pyrrolylidene]methyl]-5-(4-pyrimidinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-(2-pyrrolidin-1-ylethyl)pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-(2-pyrrolidinoethyl)pyrrol-2-ylidene]methyl]-5-(4-pyrimidyl)-3-pyrazolin-3-one Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=C(NNC2=O)C3=NC=NC=C3)C(=C1CCN4CCCC4)C5CC5

Isomeric SMILES

CC1=N/C(=C/C2=C(NNC2=O)C3=NC=NC=C3)/C(=C1CCN4CCCC4)C5CC5

InChI

InChI=1S/C22H26N6O/c1-14-16(7-11-28-9-2-3-10-28)20(15-4-5-15)19(25-14)12-17-21(26-27-22(17)29)18-6-8-23-13-24-18/h6,8,12-13,15H,2-5,7,9-11H2,1H3,(H2,26,27,29)/b19-12+