ethyl 3-cyano-4-oxidanylidene-2-[(phenylmethyl)amino]-1,6,7,8,9,9a-hexahydroquinolizine-1-carboxylate

Systemtic Name: ethyl 3-cyano-4-oxidanylidene-2-[(phenylmethyl)amino]-1,6,7,8,9,9a-hexahydroquinolizine-1-carboxylate Openeye Name: ethyl 2-(benzylamino)-3-cyano-4-oxo-1,6,7,8,9,9a-hexahydroquinolizine-1-carboxylate CAS Name: 3-cyano-4-oxo-2-[(phenylmethyl)amino]-1,6,7,8,9,9a-hexahydroquinolizine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylamino)-3-cyano-4-oxo-1,6,7,8,9,9a-hexahydroquinolizine-1-carboxylate Traditional Name: 2-(benzylamino)-3-cyano-4-keto-1,6,7,8,9,9a-hexahydroquinolizine-1-carboxylic acid ethyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCCCN2C(=O)C(=C1NCC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1C2CCCCN2C(=O)C(=C1NCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H23N3O3/c1-2-26-20(25)17-16-10-6-7-11-23(16)19(24)15(12-21)18(17)22-13-14-8-4-3-5-9-14/h3-5,8-9,16-17,22H,2,6-7,10-11,13H2,1H3