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

Systemtic Name: ethanedioic acid; [4-(4-methylpiperazin-1-yl)piperidin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-(4-methylpiperazin-1-yl)-1-piperidyl]-(1-naphthyl)methanone; oxalic acid CAS Name: [4-(4-methyl-1-piperazinyl)-1-piperidinyl]-(1-naphthalenyl)methanone; oxalic acid IUPAC Name: [4-(4-methylpiperazin-1-yl)piperidin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: [4-(4-methylpiperazino)piperidino]-(1-naphthyl)methanone; oxalic acid Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3O.C2H2O4/c1-22-13-15-23(16-14-22)18-9-11-24(12-10-18)21(25)20-8-4-6-17-5-2-3-7-19(17)20;3-1(4)2(5)6/h2-8,18H,9-16H2,1H3;(H,3,4)(H,5,6)