3-cyanopropyl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate

Systemtic Name: 3-cyanopropyl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: 3-cyanopropyl 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate CAS Name: 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Traditional Name: 12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid 3-cyanopropyl ester Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)OCCCC#N)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)OCCCC#N)C(=O)N2CC1

InChI

InChI=1S/C18H19N3O3/c19-9-3-5-11-24-18(23)13-7-8-14-15(12-13)20-16-6-2-1-4-10-21(16)17(14)22/h7-8,12H,1-6,10-11H2