N-(2-bromanyl-4-cyano-phenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

Systemtic Name: N-(2-bromanyl-4-cyano-phenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide Openeye Name: N-(2-bromo-4-cyano-phenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide CAS Name: N-(2-bromo-4-cyanophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide IUPAC Name: N-(2-bromo-4-cyanophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide Traditional Name: N-(2-bromo-4-cyano-phenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide Formula: C16H18BrN3O MolecularWeight: 348.23762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CC(N2)C(=O)NC3=C(C=C(C=C3)C#N)Br

Isomeric SMILES

C1CCC2C(C1)CC(N2)C(=O)NC3=C(C=C(C=C3)C#N)Br

InChI

InChI=1S/C16H18BrN3O/c17-12-7-10(9-18)5-6-14(12)20-16(21)15-8-11-3-1-2-4-13(11)19-15/h5-7,11,13,15,19H,1-4,8H2,(H,20,21)