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

Systemtic Name: (4E)-4-[2-(azepan-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole; ethanedioic acid Openeye Name: (4E)-4-[2-(azepan-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole; oxalic acid CAS Name: (4E)-4-[2-(1-azepanyl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole; oxalic acid IUPAC Name: (4E)-4-[2-(azepan-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole; oxalic acid Traditional Name: (4E)-4-[2-(azepan-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole; oxalic acid Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC=C2CCCC3=C2C=NN3C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C/C=C/2\CCCC3=C2C=NN3C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3.C2H2O4/c1-2-7-15-23(14-6-1)16-13-18-9-8-12-21-20(18)17-22-24(21)19-10-4-3-5-11-19;3-1(4)2(5)6/h3-5,10-11,13,17H,1-2,6-9,12,14-16H2;(H,3,4)(H,5,6)/b18-13+;