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

Systemtic Name: prop-2-enyl 4-[4-(3-chloranyl-2,2-dimethyl-propanoyl)-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-[4-(3-chloro-2,2-dimethyl-propanoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(3-chloro-2,2-dimethyl-1-oxopropyl)-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[4-(3-chloro-2,2-dimethylpropanoyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(3-chloro-2,2-dimethyl-propanoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid allyl ester Formula: C26H31ClN4O4 MolecularWeight: 499.00174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)(C)CCl)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C)C(=O)OCC=C

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)(C)CCl)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C)C(=O)OCC=C

InChI

InChI=1S/C26H31ClN4O4/c1-6-14-35-24(33)20-18(3)28-22(19-10-8-7-9-11-19)29-21(20)23(32)30-12-13-31(17(2)15-30)25(34)26(4,5)16-27/h6-11,17H,1,12-16H2,2-5H3