(3S,3aR,7E)-3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazole-2-carbaldehyde

Systemtic Name: (3S,3aR,7E)-3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazole-2-carbaldehyde Openeye Name: (3S,3aR,7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbaldehyde CAS Name: (3S,3aR,7E)-3-phenyl-7-(phenylmethylene)-3a,4,5,6-tetrahydro-3H-indazole-2-carboxaldehyde IUPAC Name: (3S,3aR,7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbaldehyde Traditional Name: (3S,3aR,7E)-7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbaldehyde Formula: C21H20N2O MolecularWeight: 316.3963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H]2[C@H](N(N=C2/C(=C/C3=CC=CC=C3)/C1)C=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O/c24-15-23-21(17-10-5-2-6-11-17)19-13-7-12-18(20(19)22-23)14-16-8-3-1-4-9-16/h1-6,8-11,14-15,19,21H,7,12-13H2/b18-14+/t19-,21+/m0/s1