N-[2-(3,4-dichlorophenyl)-4-[4-[3-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3-diazinan-1-yl]piperidin-1-yl]butyl]-N-methyl-benzamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-[2-(3,4-dichlorophenyl)-4-[4-[3-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3-diazinan-1-yl]piperidin-1-yl]butyl]-N-methyl-benzamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N-[2-(3,4-dichlorophenyl)-4-[4-[3-[2-(dimethylamino)-2-oxo-ethyl]-2-oxo-hexahydropyrimidin-1-yl]-1-piperidyl]butyl]-N-methyl-benzamide CAS Name: N-[2-(3,4-dichlorophenyl)-4-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxo-1,3-diazinan-1-yl]-1-piperidinyl]butyl]-N-methylbenzamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N-[2-(3,4-dichlorophenyl)-4-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxo-1,3-diazinan-1-yl]piperidin-1-yl]butyl]-N-methylbenzamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; N-[2-(3,4-dichlorophenyl)-4-[4-[3-[2-(dimethylamino)-2-keto-ethyl]-2-keto-hexahydropyrimidin-1-yl]piperidino]butyl]-N-methyl-benzamide Formula: C37H49Cl2N5O10 MolecularWeight: 794.71846

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(C1=O)C2CCN(CC2)CCC(CN(C)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN(C)C(=O)CN1CCCN(C1=O)C2CCN(CC2)CCC(CN(C)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C31H41Cl2N5O3.C6H8O7/c1-34(2)29(39)22-37-15-7-16-38(31(37)41)26-13-18-36(19-14-26)17-12-25(24-10-11-27(32)28(33)20-24)21-35(3)30(40)23-8-5-4-6-9-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,8-11,20,25-26H,7,12-19,21-22H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)