ethanedioic acid; (4E)-1-phenyl-4-[2-(3-phenylpyrrolidin-1-yl)ethylidene]-6,7-dihydro-5H-indazole

Systemtic Name: ethanedioic acid; (4E)-1-phenyl-4-[2-(3-phenylpyrrolidin-1-yl)ethylidene]-6,7-dihydro-5H-indazole Openeye Name: oxalic acid; (4E)-1-phenyl-4-[2-(3-phenylpyrrolidin-1-yl)ethylidene]-6,7-dihydro-5H-indazole CAS Name: oxalic acid; (4E)-1-phenyl-4-[2-(3-phenyl-1-pyrrolidinyl)ethylidene]-6,7-dihydro-5H-indazole IUPAC Name: oxalic acid; (4E)-1-phenyl-4-[2-(3-phenylpyrrolidin-1-yl)ethylidene]-6,7-dihydro-5H-indazole Traditional Name: oxalic acid; (4E)-1-phenyl-4-[2-(3-phenylpyrrolidino)ethylidene]-6,7-dihydro-5H-indazole Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CCN2CCC(C2)C3=CC=CC=C3)C4=C(C1)N(N=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1C/C(=C\CN2CCC(C2)C3=CC=CC=C3)/C4=C(C1)N(N=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H27N3.C2H2O4/c1-3-8-20(9-4-1)22-15-17-27(19-22)16-14-21-10-7-13-25-24(21)18-26-28(25)23-11-5-2-6-12-23;3-1(4)2(5)6/h1-6,8-9,11-12,14,18,22H,7,10,13,15-17,19H2;(H,3,4)(H,5,6)/b21-14+;