ethanedioic acid; naphthalen-1-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone

Systemtic Name: ethanedioic acid; naphthalen-1-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone Openeye Name: 1-naphthyl-[4-(4-phenylpiperazin-1-yl)-1-piperidyl]methanone; oxalic acid CAS Name: 1-naphthalenyl-[4-(4-phenyl-1-piperazinyl)-1-piperidinyl]methanone; oxalic acid IUPAC Name: naphthalen-1-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone; oxalic acid Traditional Name: 1-naphthyl-[4-(4-phenylpiperazino)piperidino]methanone; oxalic acid Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC5=CC=CC=C54.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC5=CC=CC=C54.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H29N3O.C2H2O4/c30-26(25-12-6-8-21-7-4-5-11-24(21)25)29-15-13-23(14-16-29)28-19-17-27(18-20-28)22-9-2-1-3-10-22;3-1(4)2(5)6/h1-12,23H,13-20H2;(H,3,4)(H,5,6)