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

Systemtic Name: 4-[(E)-[5-methyl-4-(4-piperidin-1-ylbutyl)-3-propan-2-yl-pyrrol-2-ylidene]methyl]-5-pyrimidin-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[3-isopropyl-5-methyl-4-[4-(1-piperidyl)butyl]pyrrol-2-ylidene]methyl]-5-pyrimidin-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[5-methyl-4-[4-(1-piperidinyl)butyl]-3-propan-2-yl-2-pyrrolylidene]methyl]-5-(2-pyrimidinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[5-methyl-4-(4-piperidin-1-ylbutyl)-3-propan-2-ylpyrrol-2-ylidene]methyl]-5-pyrimidin-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[3-isopropyl-5-methyl-4-(4-piperidinobutyl)pyrrol-2-ylidene]methyl]-5-(2-pyrimidyl)-3-pyrazolin-3-one Formula: C25H34N6O MolecularWeight: 434.57706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=C(NNC2=O)C3=NC=CC=N3)C(=C1CCCCN4CCCCC4)C(C)C

Isomeric SMILES

CC1=N/C(=C/C2=C(NNC2=O)C3=NC=CC=N3)/C(=C1CCCCN4CCCCC4)C(C)C

InChI

InChI=1S/C25H34N6O/c1-17(2)22-19(10-5-8-15-31-13-6-4-7-14-31)18(3)28-21(22)16-20-23(29-30-25(20)32)24-26-11-9-12-27-24/h9,11-12,16-17H,4-8,10,13-15H2,1-3H3,(H2,29,30,32)/b21-16+