ethanedioic acid; [4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: ethanedioic acid; [4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: 1-naphthyl-[4-(p-tolylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: [4-[(4-methylphenyl)methyl]-1-piperazinyl]-(1-naphthalenyl)methanone; oxalic acid IUPAC Name: [4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: [4-(4-methylbenzyl)piperazino]-(1-naphthyl)methanone; oxalic acid Formula: C25H26N2O5 MolecularWeight: 434.48434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H24N2O.C2H2O4/c1-18-9-11-19(12-10-18)17-24-13-15-25(16-14-24)23(26)22-8-4-6-20-5-2-3-7-21(20)22;3-1(4)2(5)6/h2-12H,13-17H2,1H3;(H,3,4)(H,5,6)