1-[3-[3,4-bis(fluoranyl)phenyl]-4-[methyl-(3-nitronaphthalen-1-yl)carbonyl-amino]butyl]-N-methyl-4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidine-4-carboxamide

Systemtic Name: 1-[3-[3,4-bis(fluoranyl)phenyl]-4-[methyl-(3-nitronaphthalen-1-yl)carbonyl-amino]butyl]-N-methyl-4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidine-4-carboxamide Openeye Name: 1-[3-(3,4-difluorophenyl)-4-[methyl-(3-nitronaphthalene-1-carbonyl)amino]butyl]-N-methyl-4-(2-oxohexahydropyrimidin-1-yl)piperidine-4-carboxamide CAS Name: 1-[3-(3,4-difluorophenyl)-4-[methyl-[(3-nitro-1-naphthalenyl)-oxomethyl]amino]butyl]-N-methyl-4-(2-oxo-1,3-diazinan-1-yl)-4-piperidinecarboxamide IUPAC Name: 1-[3-(3,4-difluorophenyl)-4-[methyl-(3-nitronaphthalene-1-carbonyl)amino]butyl]-N-methyl-4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxamide Traditional Name: 1-[3-(3,4-difluorophenyl)-4-[methyl-(3-nitro-1-naphthoyl)amino]butyl]-4-(2-ketohexahydropyrimidin-1-yl)-N-methyl-isonipecotamide Formula: C33H38F2N6O5 MolecularWeight: 636.688826

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1(CCN(CC1)CCC(CN(C)C(=O)C2=CC(=CC3=CC=CC=C32)[N+](=O)[O-])C4=CC(=C(C=C4)F)F)N5CCCNC5=O

Isomeric SMILES

CNC(=O)C1(CCN(CC1)CCC(CN(C)C(=O)C2=CC(=CC3=CC=CC=C32)[N+](=O)[O-])C4=CC(=C(C=C4)F)F)N5CCCNC5=O

InChI

InChI=1S/C33H38F2N6O5/c1-36-31(43)33(40-14-5-13-37-32(40)44)11-16-39(17-12-33)15-10-24(22-8-9-28(34)29(35)19-22)21-38(2)30(42)27-20-25(41(45)46)18-23-6-3-4-7-26(23)27/h3-4,6-9,18-20,24H,5,10-17,21H2,1-2H3,(H,36,43)(H,37,44)