N-(1,2-dimethyl-1,2-diazinan-4-yl)-N-phenyl-benzamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-(1,2-dimethyl-1,2-diazinan-4-yl)-N-phenyl-benzamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N-(1,2-dimethylhexahydropyridazin-4-yl)-N-phenyl-benzamide CAS Name: N-(1,2-dimethyl-4-diazinanyl)-N-phenylbenzamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N-(1,2-dimethyldiazinan-4-yl)-N-phenylbenzamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; N-(1,2-dimethylhexahydropyridazin-4-yl)-N-phenyl-benzamide Formula: C25H31N3O8 MolecularWeight: 501.52894

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CN1C)N(C2=CC=CC=C2)C(=O)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CN1C)N(C2=CC=CC=C2)C(=O)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C19H23N3O.C6H8O7/c1-20-14-13-18(15-21(20)2)22(17-11-7-4-8-12-17)19(23)16-9-5-3-6-10-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,18H,13-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)