methyl 3-[3-[4-(2-aminocarbonylphenyl)piperazin-1-yl]propylcarbamoyl]-6-methyl-2-oxidanylidene-4-[3,4,5-tris(fluoranyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-[3-[4-(2-aminocarbonylphenyl)piperazin-1-yl]propylcarbamoyl]-6-methyl-2-oxidanylidene-4-[3,4,5-tris(fluoranyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-[3-[4-(2-carbamoylphenyl)piperazin-1-yl]propylcarbamoyl]-6-methyl-2-oxo-4-(3,4,5-trifluorophenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[[3-[4-(2-carbamoylphenyl)-1-piperazinyl]propylamino]-oxomethyl]-6-methyl-2-oxo-4-(3,4,5-trifluorophenyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[4-(2-carbamoylphenyl)piperazin-1-yl]propylcarbamoyl]-6-methyl-2-oxo-4-(3,4,5-trifluorophenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-[4-(2-carbamoylphenyl)piperazino]propylcarbamoyl]-2-keto-6-methyl-4-(3,4,5-trifluorophenyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C28H31F3N6O5 MolecularWeight: 588.57815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3C(=O)N)C4=CC(=C(C(=C4)F)F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3C(=O)N)C4=CC(=C(C(=C4)F)F)F)C(=O)OC

InChI

InChI=1S/C28H31F3N6O5/c1-16-22(26(39)42-2)24(17-14-19(29)23(31)20(30)15-17)37(28(41)34-16)27(40)33-8-5-9-35-10-12-36(13-11-35)21-7-4-3-6-18(21)25(32)38/h3-4,6-7,14-15,24H,5,8-13H2,1-2H3,(H2,32,38)(H,33,40)(H,34,41)