ethyl 4-[[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]methyl]-2-oxidanylidene-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]methyl]-2-oxidanylidene-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]methyl]-2-oxo-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl]-2-oxo-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-[(3-methyl-4-p-toluoyl-piperazino)methyl]-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C36H40N4O5 MolecularWeight: 608.7266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)CC=C)CN4CCN(C(C4)C)C(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)CC=C)CN4CCN(C(C4)C)C(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C36H40N4O5/c1-5-19-40-31(24-38-20-21-39(26(4)23-38)34(41)27-17-15-25(3)16-18-27)32(35(42)44-6-2)33(37-36(40)43)28-11-10-14-30(22-28)45-29-12-8-7-9-13-29/h5,7-18,22,26,33H,1,6,19-21,23-24H2,2-4H3,(H,37,43)