cyanomethyl 13-oxidanylidene-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate

Systemtic Name: cyanomethyl 13-oxidanylidene-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate Openeye Name: cyanomethyl 13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate CAS Name: 13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate Traditional Name: 13-keto-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylic acid cyanomethyl ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)OCC#N)CC1

Isomeric SMILES

C1CCCN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)OCC#N)CC1

InChI

InChI=1S/C17H17N3O3/c18-8-10-23-17(22)12-6-7-13-14(11-12)19-15-5-3-1-2-4-9-20(15)16(13)21/h6-7,11H,1-5,9-10H2