(3S)-3-[(phenylmethyl)amino]azepan-2-one

Systemtic Name: (3S)-3-[(phenylmethyl)amino]azepan-2-one Openeye Name: (3S)-3-(benzylamino)azepan-2-one CAS Name: (3S)-3-[(phenylmethyl)amino]-2-azepanone IUPAC Name: (3S)-3-(benzylamino)azepan-2-one Traditional Name: (3S)-3-(benzylamino)azepan-2-one Formula: C13H18N2O MolecularWeight: 218.29482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC=CC=C2

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NCC2=CC=CC=C2

InChI

InChI=1S/C13H18N2O/c16-13-12(8-4-5-9-14-13)15-10-11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2,(H,14,16)/t12-/m0/s1