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

Systemtic Name: 2-methylpropyl 4-[4-(2-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-[4-(2-fluorobenzoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(2-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(2-fluorobenzoyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-fluorobenzoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C29H31FN4O4 MolecularWeight: 518.579243

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2F)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2F)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC(C)C

InChI

InChI=1S/C29H31FN4O4/c1-18(2)17-38-29(37)24-20(4)31-26(21-10-6-5-7-11-21)32-25(24)28(36)33-14-15-34(19(3)16-33)27(35)22-12-8-9-13-23(22)30/h5-13,18-19H,14-17H2,1-4H3