ethanedioic acid; [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: ethanedioic acid; [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-(1-naphthylmethyl)piperazin-1-yl]-(4-pyridyl)methanone; oxalic acid CAS Name: [4-(1-naphthalenylmethyl)-1-piperazinyl]-pyridin-4-ylmethanone; oxalic acid IUPAC Name: [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone; oxalic acid Traditional Name: [4-(1-naphthylmethyl)piperazino]-(4-pyridyl)methanone; oxalic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC=NC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC=NC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H21N3O.C2H2O4/c25-21(18-8-10-22-11-9-18)24-14-12-23(13-15-24)16-19-6-3-5-17-4-1-2-7-20(17)19;3-1(4)2(5)6/h1-11H,12-16H2;(H,3,4)(H,5,6)