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

Systemtic Name: ethanedioic acid; [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(1-naphthyl)methanone; oxalic acid CAS Name: [4-(1H-indol-3-ylmethyl)-1-piperazinyl]-(1-naphthalenyl)methanone; oxalic acid IUPAC Name: [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: [4-(1H-indol-3-ylmethyl)piperazino]-(1-naphthyl)methanone; oxalic acid Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)C4=CC=CC5=CC=CC=C54.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)C4=CC=CC5=CC=CC=C54.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H23N3O.C2H2O4/c28-24(22-10-5-7-18-6-1-2-8-20(18)22)27-14-12-26(13-15-27)17-19-16-25-23-11-4-3-9-21(19)23;3-1(4)2(5)6/h1-11,16,25H,12-15,17H2;(H,3,4)(H,5,6)