ethanedioic acid; 1-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: ethanedioic acid; 1-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-(2-naphthylmethyl)piperazin-1-yl]-2,2-diphenyl-ethanone; oxalic acid CAS Name: 1-[4-(2-naphthalenylmethyl)-1-piperazinyl]-2,2-diphenylethanone; oxalic acid IUPAC Name: 1-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone; oxalic acid Traditional Name: 1-[4-(2-naphthylmethyl)piperazino]-2,2-diphenyl-ethanone; oxalic acid Formula: C31H30N2O5 MolecularWeight: 510.5803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=CC=CC=C3C=C2)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=CC=CC=C3C=C2)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H28N2O.C2H2O4/c32-29(28(25-10-3-1-4-11-25)26-12-5-2-6-13-26)31-19-17-30(18-20-31)22-23-15-16-24-9-7-8-14-27(24)21-23;3-1(4)2(5)6/h1-16,21,28H,17-20,22H2;(H,3,4)(H,5,6)