4-[(E)-[3-cyclopropyl-5-methyl-4-(2-pyrrolidin-1-ylethyl)pyrrol-2-ylidene]methyl]-5-pyrimidin-2-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-2-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-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-[2-(1-pyrrolidinyl)ethyl]-2-pyrrolylidene]methyl]-5-(2-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-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-(2-pyrrolidinoethyl)pyrrol-2-ylidene]methyl]-5-(2-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=CC=N3)C(=C1CCN4CCCC4)C5CC5

Isomeric SMILES

CC1=N/C(=C/C2=C(NNC2=O)C3=NC=CC=N3)/C(=C1CCN4CCCC4)C5CC5

InChI

InChI=1S/C22H26N6O/c1-14-16(7-12-28-10-2-3-11-28)19(15-5-6-15)18(25-14)13-17-20(26-27-22(17)29)21-23-8-4-9-24-21/h4,8-9,13,15H,2-3,5-7,10-12H2,1H3,(H2,26,27,29)/b18-13+