ethyl 4-[3-methyl-4-(4-phenylphenyl)carbonyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[3-methyl-4-(4-phenylphenyl)carbonyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-methyl-4-(4-phenylbenzoyl)piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-[oxo-(4-phenylphenyl)methyl]-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-4-(4-phenylbenzoyl)piperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[3-methyl-4-(4-phenylbenzoyl)piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C35H36N4O4 MolecularWeight: 576.68474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H36N4O4/c1-4-12-29-30(35(42)43-5-2)31(37-32(36-29)27-15-10-7-11-16-27)34(41)38-21-22-39(24(3)23-38)33(40)28-19-17-26(18-20-28)25-13-8-6-9-14-25/h6-11,13-20,24H,4-5,12,21-23H2,1-3H3