[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-azepan-3-yl]carbamic acid

Systemtic Name: [(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-azepan-3-yl]carbamic acid Openeye Name: [(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-azepan-3-yl]carbamic acid CAS Name: [(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-3-azepanyl]carbamic acid IUPAC Name: [(3S)-1-[(3-cyanophenyl)methyl]-2-oxoazepan-3-yl]carbamic acid Traditional Name: [(3S)-1-(3-cyanobenzyl)-2-keto-azepan-3-yl]carbamic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)O)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NC(=O)O)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H17N3O3/c16-9-11-4-3-5-12(8-11)10-18-7-2-1-6-13(14(18)19)17-15(20)21/h3-5,8,13,17H,1-2,6-7,10H2,(H,20,21)/t13-/m0/s1