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

Systemtic Name: propan-2-yl 4-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-[4-[(3-chloro-4-fluoro-phenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(3-chloro-4-fluoroanilino)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-[(3-chloro-4-fluoro-phenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid isopropyl ester Formula: C28H29ClFN5O4 MolecularWeight: 554.012363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC(=C(C=C2)F)Cl)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OC(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC(=C(C=C2)F)Cl)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OC(C)C

InChI

InChI=1S/C28H29ClFN5O4/c1-16(2)39-27(37)23-18(4)31-25(19-8-6-5-7-9-19)33-24(23)26(36)34-12-13-35(17(3)15-34)28(38)32-20-10-11-22(30)21(29)14-20/h5-11,14,16-17H,12-13,15H2,1-4H3,(H,32,38)