ethyl 2-[(6R)-6-cyano-4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoate

Systemtic Name: ethyl 2-[(6R)-6-cyano-4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoate Openeye Name: ethyl 2-[(6R)-4-benzyl-6-cyano-1,4-diazepan-1-yl]acetate CAS Name: 2-[(6R)-6-cyano-4-(phenylmethyl)-1,4-diazepan-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(6R)-4-benzyl-6-cyano-1,4-diazepan-1-yl]acetate Traditional Name: 2-[(6R)-4-benzyl-6-cyano-1,4-diazepan-1-yl]acetic acid ethyl ester Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC(C1)C#N)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CN1CCN(C[C@H](C1)C#N)CC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O2/c1-2-22-17(21)14-20-9-8-19(12-16(10-18)13-20)11-15-6-4-3-5-7-15/h3-7,16H,2,8-9,11-14H2,1H3/t16-/m1/s1