3-phenylpropyl 3-cyano-2-imidazol-1-yl-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: 3-phenylpropyl 3-cyano-2-imidazol-1-yl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: 3-phenylpropyl 3-cyano-2-imidazol-1-yl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(1-imidazolyl)-4-oxo-1-quinolizinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3-cyano-2-imidazol-1-yl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-2-imidazol-1-yl-4-keto-quinolizine-1-carboxylic acid 3-phenylpropyl ester Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)C2=C3C=CC=CN3C(=O)C(=C2N4C=CN=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)C2=C3C=CC=CN3C(=O)C(=C2N4C=CN=C4)C#N

InChI

InChI=1S/C23H18N4O3/c24-15-18-21(26-13-11-25-16-26)20(19-10-4-5-12-27(19)22(18)28)23(29)30-14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-13,16H,6,9,14H2