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

Systemtic Name: 4-[(E)-[5-methyl-3-propan-2-yl-4-(3-pyrrolidin-1-ylpropyl)pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[3-isopropyl-5-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[5-methyl-3-propan-2-yl-4-[3-(1-pyrrolidinyl)propyl]-2-pyrrolylidene]methyl]-5-(4-pyrimidinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[5-methyl-3-propan-2-yl-4-(3-pyrrolidin-1-ylpropyl)pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[3-isopropyl-5-methyl-4-(3-pyrrolidinopropyl)pyrrol-2-ylidene]methyl]-5-(4-pyrimidyl)-3-pyrazolin-3-one Formula: C23H30N6O MolecularWeight: 406.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=C(NNC2=O)C3=NC=NC=C3)C(=C1CCCN4CCCC4)C(C)C

Isomeric SMILES

CC1=N/C(=C/C2=C(NNC2=O)C3=NC=NC=C3)/C(=C1CCCN4CCCC4)C(C)C

InChI

InChI=1S/C23H30N6O/c1-15(2)21-17(7-6-12-29-10-4-5-11-29)16(3)26-20(21)13-18-22(27-28-23(18)30)19-8-9-24-14-25-19/h8-9,13-15H,4-7,10-12H2,1-3H3,(H2,27,28,30)/b20-13+