tert-butyl 7-(4-cyanophenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: tert-butyl 7-(4-cyanophenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: tert-butyl 7-(4-cyanophenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-(4-cyanophenyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(4-cyanophenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-(4-cyanophenyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC=C1C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC=C1C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)20-12-6-4-5-7-16(20)15-10-8-14(13-19)9-11-15/h7-11H,4-6,12H2,1-3H3