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

Systemtic Name: (3S,3aR,7E)-2-bromanyl-3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazole Openeye Name: (3S,3aR,7E)-7-benzylidene-2-bromo-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole CAS Name: (3S,3aR,7E)-2-bromo-3-phenyl-7-(phenylmethylene)-3a,4,5,6-tetrahydro-3H-indazole IUPAC Name: (3S,3aR,7E)-7-benzylidene-2-bromo-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole Traditional Name: (3S,3aR,7E)-7-benzal-2-bromo-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole Formula: C20H19BrN2 MolecularWeight: 367.28226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)Br)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2/c21-23-20(16-10-5-2-6-11-16)18-13-7-12-17(19(18)22-23)14-15-8-3-1-4-9-15/h1-6,8-11,14,18,20H,7,12-13H2/b17-14+/t18-,20+/m0/s1