3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-[2-(methylcarbamoylamino)phenyl]piperidin-1-yl]butyl]-N-methyl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-[2-(methylcarbamoylamino)phenyl]piperidin-1-yl]butyl]-N-methyl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-[2-(methylcarbamoylamino)phenyl]-1-piperidyl]butyl]-N-methyl-naphthalene-1-carboxamide CAS Name: 3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-[2-(methylcarbamoylamino)phenyl]-1-piperidinyl]butyl]-N-methyl-1-naphthalenecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-[2-(methylcarbamoylamino)phenyl]piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-[2-(methylcarbamoylamino)phenyl]piperidino]butyl]-N-methyl-1-naphthamide Formula: C42H45Cl2N5O9 MolecularWeight: 834.7408

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CC=CC=C1C2CCN(CC2)CCC(CN(C)C(=O)C3=CC(=CC4=CC=CC=C43)C#N)C5=CC(=C(C=C5)Cl)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CNC(=O)NC1=CC=CC=C1C2CCN(CC2)CCC(CN(C)C(=O)C3=CC(=CC4=CC=CC=C43)C#N)C5=CC(=C(C=C5)Cl)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C36H37Cl2N5O2.C6H8O7/c1-40-36(45)41-34-10-6-5-9-30(34)25-13-16-43(17-14-25)18-15-28(26-11-12-32(37)33(38)21-26)23-42(2)35(44)31-20-24(22-39)19-27-7-3-4-8-29(27)31;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,19-21,25,28H,13-18,23H2,1-2H3,(H2,40,41,45);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)