ethanedioic acid; 2-[(2E)-2-(1-phenyl-6,7-dihydro-5H-indazol-4-ylidene)ethyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: ethanedioic acid; 2-[(2E)-2-(1-phenyl-6,7-dihydro-5H-indazol-4-ylidene)ethyl]-3,4-dihydro-1H-isoquinoline Openeye Name: oxalic acid; 2-[(2E)-2-(1-phenyl-6,7-dihydro-5H-indazol-4-ylidene)ethyl]-3,4-dihydro-1H-isoquinoline CAS Name: oxalic acid; 2-[(2E)-2-(1-phenyl-6,7-dihydro-5H-indazol-4-ylidene)ethyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: oxalic acid; 2-[(2E)-2-(1-phenyl-6,7-dihydro-5H-indazol-4-ylidene)ethyl]-3,4-dihydro-1H-isoquinoline Traditional Name: oxalic acid; 2-[(2E)-2-(1-phenyl-6,7-dihydro-5H-indazol-4-ylidene)ethyl]-3,4-dihydro-1H-isoquinoline Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CCN2CCC3=CC=CC=C3C2)C4=C(C1)N(N=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1C/C(=C\CN2CCC3=CC=CC=C3C2)/C4=C(C1)N(N=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H25N3.C2H2O4/c1-2-10-22(11-3-1)27-24-12-6-9-20(23(24)17-25-27)14-16-26-15-13-19-7-4-5-8-21(19)18-26;3-1(4)2(5)6/h1-5,7-8,10-11,14,17H,6,9,12-13,15-16,18H2;(H,3,4)(H,5,6)/b20-14+;