(3S)-5-methyl-3-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]hexanenitrile

Systemtic Name: (3S)-5-methyl-3-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]hexanenitrile Openeye Name: (3S)-3-(4-benzyl-7-oxo-1,4-diazepan-1-yl)-5-methyl-hexanenitrile CAS Name: (3S)-5-methyl-3-[7-oxo-4-(phenylmethyl)-1,4-diazepan-1-yl]hexanenitrile IUPAC Name: (3S)-3-(4-benzyl-7-oxo-1,4-diazepan-1-yl)-5-methylhexanenitrile Traditional Name: (3S)-3-(4-benzyl-7-keto-1,4-diazepan-1-yl)-5-methyl-hexanenitrile Formula: C19H27N3O MolecularWeight: 313.43718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC#N)N1CCN(CCC1=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](CC#N)N1CCN(CCC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H27N3O/c1-16(2)14-18(8-10-20)22-13-12-21(11-9-19(22)23)15-17-6-4-3-5-7-17/h3-7,16,18H,8-9,11-15H2,1-2H3/t18-/m1/s1