ethanedioic acid; 3-(4-phenethylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole

Systemtic Name: ethanedioic acid; 3-(4-phenethylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole Openeye Name: oxalic acid; 3-(4-phenethylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole CAS Name: oxalic acid; 3-(4-phenethyl-1-piperazinyl)-4,5-dihydro-1H-benzo[g]indazole IUPAC Name: oxalic acid; 3-(4-phenethylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole Traditional Name: oxalic acid; 3-(4-phenethylpiperazino)-4,5-dihydro-1H-benz[g]indazole Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)NN=C2N4CCN(CC4)CCC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)NN=C2N4CCN(CC4)CCC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26N4.C2H2O4/c1-2-6-18(7-3-1)12-13-26-14-16-27(17-15-26)23-21-11-10-19-8-4-5-9-20(19)22(21)24-25-23;3-1(4)2(5)6/h1-9H,10-17H2,(H,24,25);(H,3,4)(H,5,6)