prop-2-enyl 6-methyl-4-[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 6-methyl-4-[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: allyl 4-[3-(4-isopentyloxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 6-methyl-4-[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-(4-isoamoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid allyl ester Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CN(N=C2C3=CC=C(C=C3)OCCC(C)C)C4=CC=CC=C4)C(=O)OCC=C

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CN(N=C2C3=CC=C(C=C3)OCCC(C)C)C4=CC=CC=C4)C(=O)OCC=C

InChI

InChI=1S/C29H32N4O4/c1-5-16-37-28(34)25-20(4)30-29(35)31-27(25)24-18-33(22-9-7-6-8-10-22)32-26(24)21-11-13-23(14-12-21)36-17-15-19(2)3/h5-14,18-19,27H,1,15-17H2,2-4H3,(H2,30,31,35)