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

Systemtic Name: ethyl 4-[4-(2-bromophenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2-bromobenzoyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(2-bromophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-bromobenzoyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-bromobenzoyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H31BrN4O4 MolecularWeight: 579.48484

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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=CC=C3Br)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3=CC=CC=C3Br)C4=CC=CC=C4

InChI

InChI=1S/C29H31BrN4O4/c1-4-11-23-24(29(37)38-5-2)25(32-26(31-23)20-12-7-6-8-13-20)28(36)33-16-17-34(19(3)18-33)27(35)21-14-9-10-15-22(21)30/h6-10,12-15,19H,4-5,11,16-18H2,1-3H3