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

Systemtic Name: methyl 4-[3,4-bis(fluoranyl)phenyl]-3-[5-(4-cyano-4-phenyl-piperidin-1-yl)pentyl]-6-(methoxymethyl)-2-methyl-4H-pyrimidine-5-carboxylate Openeye Name: methyl 3-[5-(4-cyano-4-phenyl-1-piperidyl)pentyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-methyl-4H-pyrimidine-5-carboxylate CAS Name: 3-[5-(4-cyano-4-phenyl-1-piperidinyl)pentyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-methyl-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[5-(4-cyano-4-phenylpiperidin-1-yl)pentyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-methyl-4H-pyrimidine-5-carboxylate Traditional Name: 3-[5-(4-cyano-4-phenyl-piperidino)pentyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-methyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C32H38F2N4O3 MolecularWeight: 564.665926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(N1CCCCCN2CCC(CC2)(C#N)C3=CC=CC=C3)C4=CC(=C(C=C4)F)F)C(=O)OC)COC

Isomeric SMILES

CC1=NC(=C(C(N1CCCCCN2CCC(CC2)(C#N)C3=CC=CC=C3)C4=CC(=C(C=C4)F)F)C(=O)OC)COC

InChI

InChI=1S/C32H38F2N4O3/c1-23-36-28(21-40-2)29(31(39)41-3)30(24-12-13-26(33)27(34)20-24)38(23)17-9-5-8-16-37-18-14-32(22-35,15-19-37)25-10-6-4-7-11-25/h4,6-7,10-13,20,30H,5,8-9,14-19,21H2,1-3H3