1-[3-(4-chlorophenyl)-4-[(3-cyanonaphthalen-1-yl)carbonyl-methyl-amino]butyl]-N-methyl-4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidine-4-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1-[3-(4-chlorophenyl)-4-[(3-cyanonaphthalen-1-yl)carbonyl-methyl-amino]butyl]-N-methyl-4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidine-4-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-[3-(4-chlorophenyl)-4-[(3-cyanonaphthalene-1-carbonyl)-methyl-amino]butyl]-N-methyl-4-(2-oxohexahydropyrimidin-1-yl)piperidine-4-carboxamide citrate CAS Name: 1-[3-(4-chlorophenyl)-4-[[(3-cyano-1-naphthalenyl)-oxomethyl]-methylamino]butyl]-N-methyl-4-(2-oxo-1,3-diazinan-1-yl)-4-piperidinecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-[3-(4-chlorophenyl)-4-[(3-cyanonaphthalene-1-carbonyl)-methylamino]butyl]-N-methyl-4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-[3-(4-chlorophenyl)-4-[(3-cyano-1-naphthoyl)-methyl-amino]butyl]-4-(2-ketohexahydropyrimidin-1-yl)-N-methyl-isonipecotamide citrate Formula: C40H44ClN6O10-3 MolecularWeight: 804.26456

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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)C#N)C4=CC=C(C=C4)Cl)N5CCCNC5=O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C34H39ClN6O3.C6H8O7/c1-37-32(43)34(41-16-5-15-38-33(41)44)13-18-40(19-14-34)17-12-27(25-8-10-28(35)11-9-25)23-39(2)31(42)30-21-24(22-36)20-26-6-3-4-7-29(26)30;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-4,6-11,20-21,27H,5,12-19,23H2,1-2H3,(H,37,43)(H,38,44);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3