4-[(E)-[3-cyclopropyl-5-methyl-4-(4-pyrrolidin-1-ylbutyl)pyrrol-2-ylidene]methyl]-5-pyrimidin-5-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-5-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-5-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-[4-(1-pyrrolidinyl)butyl]-2-pyrrolylidene]methyl]-5-(5-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-5-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-(4-pyrrolidinobutyl)pyrrol-2-ylidene]methyl]-5-(5-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=CN=CN=C3)C(=C1CCCCN4CCCC4)C5CC5

Isomeric SMILES

CC1=N/C(=C/C2=C(NNC2=O)C3=CN=CN=C3)/C(=C1CCCCN4CCCC4)C5CC5

InChI

InChI=1S/C24H30N6O/c1-16-19(6-2-3-9-30-10-4-5-11-30)22(17-7-8-17)21(27-16)12-20-23(28-29-24(20)31)18-13-25-15-26-14-18/h12-15,17H,2-11H2,1H3,(H2,28,29,31)/b21-12+