2-oxidanylpropane-1,2,3-tricarboxylic acid; 4-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 4-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one Openeye Name: 3-(1-benzyl-4-piperidyl)-4-phenyl-1,4-dihydroquinazolin-2-one; citric acid CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 4-phenyl-3-[1-(phenylmethyl)-4-piperidinyl]-1,4-dihydroquinazolin-2-one IUPAC Name: 3-(1-benzylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 3-(1-benzyl-4-piperidyl)-4-phenyl-1,4-dihydroquinazolin-2-one; citric acid Formula: C32H35N3O8 MolecularWeight: 589.6356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4)CC5=CC=CC=C5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4)CC5=CC=CC=C5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C26H27N3O.C6H8O7/c30-26-27-24-14-8-7-13-23(24)25(21-11-5-2-6-12-21)29(26)22-15-17-28(18-16-22)19-20-9-3-1-4-10-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-14,22,25H,15-19H2,(H,27,30);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)