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

Systemtic Name: prop-2-enyl 4-[4-(3,4-dichlorophenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-[4-(3,4-dichlorobenzoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(3,4-dichlorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[4-(3,4-dichlorobenzoyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(3,4-dichlorobenzoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid allyl ester Formula: C28H26Cl2N4O4 MolecularWeight: 553.43644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26Cl2N4O4/c1-4-14-38-28(37)23-18(3)31-25(19-8-6-5-7-9-19)32-24(23)27(36)33-12-13-34(17(2)16-33)26(35)20-10-11-21(29)22(30)15-20/h4-11,15,17H,1,12-14,16H2,2-3H3