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

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

CCCCC1=C(N(CCCC1)C(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(N(CCCC1)C(=O)OC(C)(C)C)C2=CC=CC=C2

InChI

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