methyl 4-[3,4-bis(fluoranyl)phenyl]-3-[5-(4-cyano-4-phenyl-piperidin-1-yl)-4-methyl-pentyl]-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-[3,4-bis(fluoranyl)phenyl]-3-[5-(4-cyano-4-phenyl-piperidin-1-yl)-4-methyl-pentyl]-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-[5-(4-cyano-4-phenyl-1-piperidyl)-4-methyl-pentyl]-4-(3,4-difluorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[5-(4-cyano-4-phenyl-1-piperidinyl)-4-methylpentyl]-4-(3,4-difluorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[5-(4-cyano-4-phenylpiperidin-1-yl)-4-methylpentyl]-4-(3,4-difluorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[5-(4-cyano-4-phenyl-piperidino)-4-methyl-pentyl]-4-(3,4-difluorophenyl)-2-keto-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C31H36F2N4O3 MolecularWeight: 550.639346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)CCCC(C)CN2CCC(CC2)(C#N)C3=CC=CC=C3)C4=CC(=C(C=C4)F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(N(C(=O)N1)CCCC(C)CN2CCC(CC2)(C#N)C3=CC=CC=C3)C4=CC(=C(C=C4)F)F)C(=O)OC

InChI

InChI=1S/C31H36F2N4O3/c1-21(19-36-16-13-31(20-34,14-17-36)24-9-5-4-6-10-24)8-7-15-37-28(23-11-12-25(32)26(33)18-23)27(29(38)40-3)22(2)35-30(37)39/h4-6,9-12,18,21,28H,7-8,13-17,19H2,1-3H3,(H,35,39)