3-phenylpropyl 3-cyano-4-oxidanylidene-2-(1,2,4-triazol-4-yl)quinolizine-1-carboxylate

Systemtic Name: 3-phenylpropyl 3-cyano-4-oxidanylidene-2-(1,2,4-triazol-4-yl)quinolizine-1-carboxylate Openeye Name: 3-phenylpropyl 3-cyano-4-oxo-2-(1,2,4-triazol-4-yl)quinolizine-1-carboxylate CAS Name: 3-cyano-4-oxo-2-(1,2,4-triazol-4-yl)-1-quinolizinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3-cyano-4-oxo-2-(1,2,4-triazol-4-yl)quinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(1,2,4-triazol-4-yl)quinolizine-1-carboxylic acid 3-phenylpropyl ester Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O3/c23-13-17-20(26-14-24-25-15-26)19(18-10-4-5-11-27(18)21(17)28)22(29)30-12-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,14-15H,6,9,12H2