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

Systemtic Name: ethanedioic acid; [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid CAS Name: [4-(1H-indol-3-ylmethyl)-1-piperazinyl]-(4-phenylphenyl)methanone; oxalic acid IUPAC Name: [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid Traditional Name: [4-(1H-indol-3-ylmethyl)piperazino]-(4-phenylphenyl)methanone; oxalic acid Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H25N3O.C2H2O4/c30-26(22-12-10-21(11-13-22)20-6-2-1-3-7-20)29-16-14-28(15-17-29)19-23-18-27-25-9-5-4-8-24(23)25;3-1(4)2(5)6/h1-13,18,27H,14-17,19H2;(H,3,4)(H,5,6)