propan-2-yl (4S)-6-methyl-4-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: propan-2-yl (4S)-6-methyl-4-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isopropyl (4S)-6-methyl-4-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-4-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S)-6-methyl-4-[3-(3-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-methyl-4-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isopropyl ester Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C3C(=C(NC(=O)N3)C)C(=O)OC(C)C)C4=CC=CC=C4)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2[C@H]3C(=C(NC(=O)N3)C)C(=O)OC(C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C28H32N4O4/c1-6-14-35-23-13-12-20(15-18(23)4)25-22(16-32(31-25)21-10-8-7-9-11-21)26-24(27(33)36-17(2)3)19(5)29-28(34)30-26/h7-13,15-17,26H,6,14H2,1-5H3,(H2,29,30,34)/t26-/m0/s1