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

Systemtic Name: ethanedioic acid; [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-(1H-indol-3-ylmethyl)-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(1H-indol-3-ylmethyl)piperazino]-phenyl-methanone; oxalic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O.C2H2O4/c24-20(16-6-2-1-3-7-16)23-12-10-22(11-13-23)15-17-14-21-19-9-5-4-8-18(17)19;3-1(4)2(5)6/h1-9,14,21H,10-13,15H2;(H,3,4)(H,5,6)