ethanedioic acid; [4-[(3-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: ethanedioic acid; [4-[(3-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-(m-tolylmethyl)piperazin-1-yl]-(1-naphthyl)methanone; oxalic acid CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazinyl]-(1-naphthalenyl)methanone; oxalic acid IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: [4-(3-methylbenzyl)piperazino]-(1-naphthyl)methanone; oxalic acid Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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