9-cyano-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid

Systemtic Name: 9-cyano-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid Openeye Name: 9-cyano-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid CAS Name: 9-cyano-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid IUPAC Name: 9-cyano-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid Traditional Name: 9-cyano-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC3=C1NC(CCC3)C(=O)O)C=CC(=C2)C#N

Isomeric SMILES

CN1C2=C(CC3=C1NC(CCC3)C(=O)O)C=CC(=C2)C#N

InChI

InChI=1S/C16H17N3O2/c1-19-14-7-10(9-17)5-6-11(14)8-12-3-2-4-13(16(20)21)18-15(12)19/h5-7,13,18H,2-4,8H2,1H3,(H,20,21)