tert-butyl 6-tert-butyl-7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: tert-butyl 6-tert-butyl-7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: tert-butyl 6-tert-butyl-7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 6-tert-butyl-7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-tert-butyl-7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 6-tert-butyl-7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(N(CCCC1)C(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=C(N(CCCC1)C(=O)OC(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H31NO2/c1-20(2,3)17-14-10-11-15-22(19(23)24-21(4,5)6)18(17)16-12-8-7-9-13-16/h7-9,12-13H,10-11,14-15H2,1-6H3