ethanedioic acid; 1-methyl-3-(4-phenethylpiperazin-1-yl)-4,5-dihydrobenzo[g]indazole

Systemtic Name: ethanedioic acid; 1-methyl-3-(4-phenethylpiperazin-1-yl)-4,5-dihydrobenzo[g]indazole Openeye Name: 1-methyl-3-(4-phenethylpiperazin-1-yl)-4,5-dihydrobenzo[g]indazole; oxalic acid CAS Name: 1-methyl-3-(4-phenethyl-1-piperazinyl)-4,5-dihydrobenzo[g]indazole; oxalic acid IUPAC Name: 1-methyl-3-(4-phenethylpiperazin-1-yl)-4,5-dihydrobenzo[g]indazole; oxalic acid Traditional Name: 1-methyl-3-(4-phenethylpiperazino)-4,5-dihydrobenz[g]indazole; oxalic acid Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CCC3=CC=CC=C32)C(=N1)N4CCN(CC4)CCC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C2=C(CCC3=CC=CC=C32)C(=N1)N4CCN(CC4)CCC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H28N4.C2H2O4/c1-26-23-21-10-6-5-9-20(21)11-12-22(23)24(25-26)28-17-15-27(16-18-28)14-13-19-7-3-2-4-8-19;3-1(4)2(5)6/h2-10H,11-18H2,1H3;(H,3,4)(H,5,6)