ethanedioic acid; 3-(4-phenylphenyl)-1-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-1-one

Systemtic Name: ethanedioic acid; 3-(4-phenylphenyl)-1-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-1-one Openeye Name: oxalic acid; 3-(4-phenylphenyl)-1-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-1-one CAS Name: oxalic acid; 3-(4-phenylphenyl)-1-[3-(1-pyrrolidinylmethyl)-3,4-dihydro-2H-quinoxalin-1-yl]-1-propanone IUPAC Name: oxalic acid; 3-(4-phenylphenyl)-1-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-1-one Traditional Name: oxalic acid; 3-(4-phenylphenyl)-1-[3-(pyrrolidinomethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-1-one Formula: C30H33N3O5 MolecularWeight: 515.60012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CN(C3=CC=CC=C3N2)C(=O)CCC4=CC=C(C=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CC2CN(C3=CC=CC=C3N2)C(=O)CCC4=CC=C(C=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H31N3O.C2H2O4/c32-28(17-14-22-12-15-24(16-13-22)23-8-2-1-3-9-23)31-21-25(20-30-18-6-7-19-30)29-26-10-4-5-11-27(26)31;3-1(4)2(5)6/h1-5,8-13,15-16,25,29H,6-7,14,17-21H2;(H,3,4)(H,5,6)