tert-butyl 1-(cyanomethyl)-8-methoxy-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-3-carboxylate

Systemtic Name: tert-butyl 1-(cyanomethyl)-8-methoxy-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-3-carboxylate Openeye Name: tert-butyl 1-(cyanomethyl)-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylate CAS Name: 1-(cyanomethyl)-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(cyanomethyl)-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylate Traditional Name: 1-(cyanomethyl)-2-keto-8-methoxy-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid tert-butyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC2=C(C=C(C=C2)OC)N(C1=O)CC#N

Isomeric SMILES

CC(C)(C)OC(=O)C1CCC2=C(C=C(C=C2)OC)N(C1=O)CC#N

InChI

InChI=1S/C18H22N2O4/c1-18(2,3)24-17(22)14-8-6-12-5-7-13(23-4)11-15(12)20(10-9-19)16(14)21/h5,7,11,14H,6,8,10H2,1-4H3