2-[(3R)-5-(4-chlorophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(3R)-5-(4-chlorophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(3R)-5-(4-chlorophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(3R)-5-(4-chlorophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3R)-5-(4-chlorophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(5R)-3-(4-chlorophenyl)-5-(4-dimethylaminophenyl)-2-pyrazolin-1-yl]-6-methyl-1H-pyrimidin-4-one Formula: C22H22ClN5O MolecularWeight: 407.89598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2[C@H](CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C22H22ClN5O/c1-14-12-21(29)25-22(24-14)28-20(16-6-10-18(11-7-16)27(2)3)13-19(26-28)15-4-8-17(23)9-5-15/h4-12,20H,13H2,1-3H3,(H,24,25,29)/t20-/m1/s1