(3R)-4-methyl-3-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]pentanenitrile

Systemtic Name: (3R)-4-methyl-3-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]pentanenitrile Openeye Name: (3R)-3-(4-benzyl-7-oxo-1,4-diazepan-1-yl)-4-methyl-pentanenitrile CAS Name: (3R)-4-methyl-3-[7-oxo-4-(phenylmethyl)-1,4-diazepan-1-yl]pentanenitrile IUPAC Name: (3R)-3-(4-benzyl-7-oxo-1,4-diazepan-1-yl)-4-methylpentanenitrile Traditional Name: (3R)-3-(4-benzyl-7-keto-1,4-diazepan-1-yl)-4-methyl-valeronitrile Formula: C18H25N3O MolecularWeight: 299.4106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O/c1-15(2)17(8-10-19)21-13-12-20(11-9-18(21)22)14-16-6-4-3-5-7-16/h3-7,15,17H,8-9,11-14H2,1-2H3/t17-/m1/s1