tert-butyl N-[(2R,6S)-7-oxidanylidene-2-phenethyl-1,2,5,6-tetrahydroazepin-6-yl]carbamate

Systemtic Name: tert-butyl N-[(2R,6S)-7-oxidanylidene-2-phenethyl-1,2,5,6-tetrahydroazepin-6-yl]carbamate Openeye Name: tert-butyl N-[(2R,6S)-7-oxo-2-phenethyl-1,2,5,6-tetrahydroazepin-6-yl]carbamate CAS Name: N-[(2R,6S)-7-oxo-2-phenethyl-1,2,5,6-tetrahydroazepin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R,6S)-7-oxo-2-phenethyl-1,2,5,6-tetrahydroazepin-6-yl]carbamate Traditional Name: N-[(2R,6S)-7-keto-2-phenethyl-1,2,5,6-tetrahydroazepin-6-yl]carbamic acid tert-butyl ester Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC=CC(NC1=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CC=C[C@H](NC1=O)CCC2=CC=CC=C2

InChI

InChI=1S/C19H26N2O3/c1-19(2,3)24-18(23)21-16-11-7-10-15(20-17(16)22)13-12-14-8-5-4-6-9-14/h4-10,15-16H,11-13H2,1-3H3,(H,20,22)(H,21,23)/t15-,16-/m0/s1