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

Systemtic Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-(4-pyrrolidin-1-ylbutyl)pyrrol-2-ylidene]methyl]-5-pyrimidin-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-(4-pyrrolidin-1-ylbutyl)pyrrol-2-ylidene]methyl]-5-pyrimidin-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-[4-(1-pyrrolidinyl)butyl]-2-pyrrolylidene]methyl]-5-(2-pyrimidinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-(4-pyrrolidin-1-ylbutyl)pyrrol-2-ylidene]methyl]-5-pyrimidin-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-(4-pyrrolidinobutyl)pyrrol-2-ylidene]methyl]-5-(2-pyrimidyl)-3-pyrazolin-3-one Formula: C24H30N6O MolecularWeight: 418.5346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=C(NNC2=O)C3=NC=CC=N3)C(=C1CCCCN4CCCC4)C5CC5

Isomeric SMILES

CC1=N/C(=C/C2=C(NNC2=O)C3=NC=CC=N3)/C(=C1CCCCN4CCCC4)C5CC5

InChI

InChI=1S/C24H30N6O/c1-16-18(7-2-3-12-30-13-4-5-14-30)21(17-8-9-17)20(27-16)15-19-22(28-29-24(19)31)23-25-10-6-11-26-23/h6,10-11,15,17H,2-5,7-9,12-14H2,1H3,(H2,28,29,31)/b20-15+