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

Systemtic Name: methyl 4-[3,4-bis(fluoranyl)phenyl]-3-[5-(4-cyano-4-phenyl-piperidin-1-yl)pentyl]-2-oxidanylidene-1H-imidazole-5-carboxylate Openeye Name: methyl 3-[5-(4-cyano-4-phenyl-1-piperidyl)pentyl]-4-(3,4-difluorophenyl)-2-oxo-1H-imidazole-5-carboxylate CAS Name: 3-[5-(4-cyano-4-phenyl-1-piperidinyl)pentyl]-4-(3,4-difluorophenyl)-2-oxo-1H-imidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[5-(4-cyano-4-phenylpiperidin-1-yl)pentyl]-4-(3,4-difluorophenyl)-2-oxo-1H-imidazole-5-carboxylate Traditional Name: 1-[5-(4-cyano-4-phenyl-piperidino)pentyl]-5-(3,4-difluorophenyl)-2-keto-4-imidazoline-4-carboxylic acid methyl ester Formula: C28H30F2N4O3 MolecularWeight: 508.559606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)N1)CCCCCN2CCC(CC2)(C#N)C3=CC=CC=C3)C4=CC(=C(C=C4)F)F

Isomeric SMILES

COC(=O)C1=C(N(C(=O)N1)CCCCCN2CCC(CC2)(C#N)C3=CC=CC=C3)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C28H30F2N4O3/c1-37-26(35)24-25(20-10-11-22(29)23(30)18-20)34(27(36)32-24)15-7-3-6-14-33-16-12-28(19-31,13-17-33)21-8-4-2-5-9-21/h2,4-5,8-11,18H,3,6-7,12-17H2,1H3,(H,32,36)