tert-butyl N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-azepan-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-azepan-3-yl]carbamate Openeye Name: tert-butyl N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-azepan-3-yl]carbamate CAS Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-3-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxoazepan-3-yl]carbamate Traditional Name: N-[(3S)-1-(3-cyanobenzyl)-2-keto-azepan-3-yl]carbamic acid tert-butyl ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCN(C1=O)CC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCCCN(C1=O)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C19H25N3O3/c1-19(2,3)25-18(24)21-16-9-4-5-10-22(17(16)23)13-15-8-6-7-14(11-15)12-20/h6-8,11,16H,4-5,9-10,13H2,1-3H3,(H,21,24)/t16-/m0/s1