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

Systemtic Name: prop-2-enyl 4-[4-(3-bromophenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-[4-(3-bromobenzoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(3-bromophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[4-(3-bromobenzoyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(3-bromobenzoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid allyl ester Formula: C28H27BrN4O4 MolecularWeight: 563.44238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27BrN4O4/c1-4-15-37-28(36)23-19(3)30-25(20-9-6-5-7-10-20)31-24(23)27(35)32-13-14-33(18(2)17-32)26(34)21-11-8-12-22(29)16-21/h4-12,16,18H,1,13-15,17H2,2-3H3