3-phenylpropyl 3-cyano-4-oxidanylidene-2-(2-pyridin-2-ylethylamino)quinolizine-1-carboxylate

Systemtic Name: 3-phenylpropyl 3-cyano-4-oxidanylidene-2-(2-pyridin-2-ylethylamino)quinolizine-1-carboxylate Openeye Name: 3-phenylpropyl 3-cyano-4-oxo-2-[2-(2-pyridyl)ethylamino]quinolizine-1-carboxylate CAS Name: 3-cyano-4-oxo-2-[2-(2-pyridinyl)ethylamino]-1-quinolizinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3-cyano-4-oxo-2-(2-pyridin-2-ylethylamino)quinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-[2-(2-pyridyl)ethylamino]quinolizine-1-carboxylic acid 3-phenylpropyl ester Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)C2=C3C=CC=CN3C(=O)C(=C2NCCC4=CC=CC=N4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)C2=C3C=CC=CN3C(=O)C(=C2NCCC4=CC=CC=N4)C#N

InChI

InChI=1S/C27H24N4O3/c28-19-22-25(30-16-14-21-12-4-6-15-29-21)24(23-13-5-7-17-31(23)26(22)32)27(33)34-18-8-11-20-9-2-1-3-10-20/h1-7,9-10,12-13,15,17,30H,8,11,14,16,18H2