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

Systemtic Name: methyl 4-[3,4-bis(fluoranyl)phenyl]-3-[3-(4-cyano-4-phenyl-piperidin-1-yl)propylcarbamoyl]-6-(methoxymethyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-[3-(4-cyano-4-phenyl-1-piperidyl)propylcarbamoyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[[3-(4-cyano-4-phenyl-1-piperidinyl)propylamino]-oxomethyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-cyano-4-phenylpiperidin-1-yl)propylcarbamoyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-(4-cyano-4-phenyl-piperidino)propylcarbamoyl]-4-(3,4-difluorophenyl)-2-keto-6-(methoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C30H33F2N5O5 MolecularWeight: 581.610326

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCC(CC2)(C#N)C3=CC=CC=C3)C4=CC(=C(C=C4)F)F)C(=O)OC

Isomeric SMILES

COCC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCC(CC2)(C#N)C3=CC=CC=C3)C4=CC(=C(C=C4)F)F)C(=O)OC

InChI

InChI=1S/C30H33F2N5O5/c1-41-18-24-25(27(38)42-2)26(20-9-10-22(31)23(32)17-20)37(29(40)35-24)28(39)34-13-6-14-36-15-11-30(19-33,12-16-36)21-7-4-3-5-8-21/h3-5,7-10,17,26H,6,11-16,18H2,1-2H3,(H,34,39)(H,35,40)