N-[2-[3,4-bis(fluoranyl)phenyl]-4-[4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidin-1-yl]butyl]-N-methyl-3-nitro-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: N-[2-[3,4-bis(fluoranyl)phenyl]-4-[4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidin-1-yl]butyl]-N-methyl-3-nitro-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: N-[2-(3,4-difluorophenyl)-4-[4-(2-oxohexahydropyrimidin-1-yl)-1-piperidyl]butyl]-N-methyl-3-nitro-naphthalene-1-carboxamide citrate CAS Name: N-[2-(3,4-difluorophenyl)-4-[4-(2-oxo-1,3-diazinan-1-yl)-1-piperidinyl]butyl]-N-methyl-3-nitro-1-naphthalenecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: N-[2-(3,4-difluorophenyl)-4-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]butyl]-N-methyl-3-nitronaphthalene-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: N-[2-(3,4-difluorophenyl)-4-[4-(2-ketohexahydropyrimidin-1-yl)piperidino]butyl]-N-methyl-3-nitro-1-naphthamide citrate Formula: C37H40F2N5O11-3 MolecularWeight: 768.737206

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CCC(CC1)N2CCCNC2=O)C3=CC(=C(C=C3)F)F)C(=O)C4=CC(=CC5=CC=CC=C54)[N+](=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CN(CC(CCN1CCC(CC1)N2CCCNC2=O)C3=CC(=C(C=C3)F)F)C(=O)C4=CC(=CC5=CC=CC=C54)[N+](=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C31H35F2N5O4.C6H8O7/c1-35(30(39)27-19-25(38(41)42)17-22-5-2-3-6-26(22)27)20-23(21-7-8-28(32)29(33)18-21)9-14-36-15-10-24(11-16-36)37-13-4-12-34-31(37)40;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-3,5-8,17-19,23-24H,4,9-16,20H2,1H3,(H,34,40);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3