4-[(Z)-[4-(diethylaminomethyl)-5-methyl-3-propan-2-yl-pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(Z)-[4-(diethylaminomethyl)-5-methyl-3-propan-2-yl-pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(Z)-[4-(diethylaminomethyl)-3-isopropyl-5-methyl-pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(Z)-[4-(diethylaminomethyl)-5-methyl-3-propan-2-yl-2-pyrrolylidene]methyl]-5-(4-pyrimidinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(Z)-[4-(diethylaminomethyl)-5-methyl-3-propan-2-ylpyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(Z)-[4-(diethylaminomethyl)-3-isopropyl-5-methyl-pyrrol-2-ylidene]methyl]-5-(4-pyrimidyl)-3-pyrazolin-3-one Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(=CC2=C(NNC2=O)C3=NC=NC=C3)N=C1C)C(C)C

Isomeric SMILES

CCN(CC)CC1=C(/C(=C/C2=C(NNC2=O)C3=NC=NC=C3)/N=C1C)C(C)C

InChI

InChI=1S/C21H28N6O/c1-6-27(7-2)11-16-14(5)24-18(19(16)13(3)4)10-15-20(25-26-21(15)28)17-8-9-22-12-23-17/h8-10,12-13H,6-7,11H2,1-5H3,(H2,25,26,28)/b18-10-