ethanedioic acid; 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-phenyl-ethanone

Systemtic Name: ethanedioic acid; 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-(1H-indol-3-ylmethyl)-1-piperazinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: 1-[4-(1H-indol-3-ylmethyl)piperazino]-2-phenyl-ethanone; oxalic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23N3O.C2H2O4/c25-21(14-17-6-2-1-3-7-17)24-12-10-23(11-13-24)16-18-15-22-20-9-5-4-8-19(18)20;3-1(4)2(5)6/h1-9,15,22H,10-14,16H2;(H,3,4)(H,5,6)