6-chloranyl-3-[1-[2-(1-phenylpyrazol-4-yl)ethyl]piperidin-4-yl]-1H-indole; ethanedioic acid

Systemtic Name: 6-chloranyl-3-[1-[2-(1-phenylpyrazol-4-yl)ethyl]piperidin-4-yl]-1H-indole; ethanedioic acid Openeye Name: 6-chloro-3-[1-[2-(1-phenylpyrazol-4-yl)ethyl]-4-piperidyl]-1H-indole; oxalic acid CAS Name: 6-chloro-3-[1-[2-(1-phenyl-4-pyrazolyl)ethyl]-4-piperidinyl]-1H-indole; oxalic acid IUPAC Name: 6-chloro-3-[1-[2-(1-phenylpyrazol-4-yl)ethyl]piperidin-4-yl]-1H-indole; oxalic acid Traditional Name: 6-chloro-3-[1-[2-(1-phenylpyrazol-4-yl)ethyl]-4-piperidyl]-1H-indole; oxalic acid Formula: C26H27ClN4O4 MolecularWeight: 494.96998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CNC3=C2C=CC(=C3)Cl)CCC4=CN(N=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1C2=CNC3=C2C=CC(=C3)Cl)CCC4=CN(N=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H25ClN4.C2H2O4/c25-20-6-7-22-23(16-26-24(22)14-20)19-9-12-28(13-10-19)11-8-18-15-27-29(17-18)21-4-2-1-3-5-21;3-1(4)2(5)6/h1-7,14-17,19,26H,8-13H2;(H,3,4)(H,5,6)