tert-butyl (3S)-3-(phenylmethyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(phenylmethyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl (3S)-3-benzyl-1,4-diazepane-1-carboxylate CAS Name: (3S)-3-(phenylmethyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-benzyl-1,4-diazepane-1-carboxylate Traditional Name: (3S)-3-benzyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H26N2O2 MolecularWeight: 290.40054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCNC(C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN[C@H](C1)CC2=CC=CC=C2

InChI

InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-11-7-10-18-15(13-19)12-14-8-5-4-6-9-14/h4-6,8-9,15,18H,7,10-13H2,1-3H3/t15-/m0/s1