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

Systemtic Name: ethanedioic acid; [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-(1-naphthylmethyl)piperazin-1-yl]-(3-pyridyl)methanone; oxalic acid CAS Name: [4-(1-naphthalenylmethyl)-1-piperazinyl]-(3-pyridinyl)methanone; oxalic acid IUPAC Name: [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone; oxalic acid Traditional Name: [4-(1-naphthylmethyl)piperazino]-(3-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=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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