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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)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(24-11-3-1-4-12-24)25-13-5-2-6-14-25)31-20-18-30(19-21-31)22-26-16-9-15-23-10-7-8-17-27(23)26;3-1(4)2(5)6/h1-17,28H,18-22H2;(H,3,4)(H,5,6)