prop-2-enyl 4-methyl-6-[3-methyl-4-(4-pentylphenyl)carbonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 4-methyl-6-[3-methyl-4-(4-pentylphenyl)carbonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-methyl-6-[3-methyl-4-(4-pentylbenzoyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-[oxo-(4-pentylphenyl)methyl]-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-methyl-6-[3-methyl-4-(4-pentylbenzoyl)piperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-amylbenzoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid allyl ester Formula: C33H38N4O4 MolecularWeight: 554.67922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC=C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC=C

InChI

InChI=1S/C33H38N4O4/c1-5-7-9-12-25-15-17-27(18-16-25)31(38)37-20-19-36(22-23(37)3)32(39)29-28(33(40)41-21-6-2)24(4)34-30(35-29)26-13-10-8-11-14-26/h6,8,10-11,13-18,23H,2,5,7,9,12,19-22H2,1,3-4H3