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

Systemtic Name: methyl 4-[4-(4-bromophenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(4-bromobenzoyl)-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-bromophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-bromobenzoyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-bromobenzoyl)-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C28H29BrN4O4 MolecularWeight: 565.45826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)Br)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C(C)C)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)Br)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C(C)C)C(=O)OC

InChI

InChI=1S/C28H29BrN4O4/c1-17(2)23-22(28(36)37-4)24(31-25(30-23)19-8-6-5-7-9-19)27(35)32-14-15-33(18(3)16-32)26(34)20-10-12-21(29)13-11-20/h5-13,17-18H,14-16H2,1-4H3