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

Systemtic Name: ethanedioic acid; naphthalen-1-yl-[4-[1-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-(1-benzyl-4-piperidyl)piperazin-1-yl]-(1-naphthyl)methanone; oxalic acid CAS Name: 1-naphthalenyl-[4-[1-(phenylmethyl)-4-piperidinyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: [4-(1-benzyl-4-piperidyl)piperazino]-(1-naphthyl)methanone; oxalic acid Formula: C29H33N3O5 MolecularWeight: 503.58942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H31N3O.C2H2O4/c31-27(26-12-6-10-23-9-4-5-11-25(23)26)30-19-17-29(18-20-30)24-13-15-28(16-14-24)21-22-7-2-1-3-8-22;3-1(4)2(5)6/h1-12,24H,13-21H2;(H,3,4)(H,5,6)