(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate CAS Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate Traditional Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=C2CCCCCC2=NC3=CC=CC=C31

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=C2CCCCCC2=NC3=CC=CC=C31

InChI

InChI=1S/C21H21N3O3/c1-13(23)16(11-22)19(25)12-27-21(26)20-14-7-3-2-4-9-17(14)24-18-10-6-5-8-15(18)20/h5-6,8,10,16,23H,2-4,7,9,12H2,1H3