ethanedioic acid; [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: ethanedioic acid; [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-(2-naphthylmethyl)piperazin-1-yl]-(3-pyridyl)methanone; oxalic acid CAS Name: [4-(2-naphthalenylmethyl)-1-piperazinyl]-(3-pyridinyl)methanone; oxalic acid IUPAC Name: [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone; oxalic acid Traditional Name: [4-(2-naphthylmethyl)piperazino]-(3-pyridyl)methanone; oxalic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=CC=CC=C3C=C2)C(=O)C4=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=CC=CC=C3C=C2)C(=O)C4=CN=CC=C4.C(=O)(C(=O)O)O

InChI

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