(3S)-3-methyl-4-[(5R)-5-methyl-2-oxidanylidene-azepan-1-yl]butanenitrile

Systemtic Name: (3S)-3-methyl-4-[(5R)-5-methyl-2-oxidanylidene-azepan-1-yl]butanenitrile Openeye Name: (3S)-3-methyl-4-[(5R)-5-methyl-2-oxo-azepan-1-yl]butanenitrile CAS Name: (3S)-3-methyl-4-[(5R)-5-methyl-2-oxo-1-azepanyl]butanenitrile IUPAC Name: (3S)-3-methyl-4-[(5R)-5-methyl-2-oxoazepan-1-yl]butanenitrile Traditional Name: (3S)-4-[(5R)-2-keto-5-methyl-azepan-1-yl]-3-methyl-butyronitrile Formula: C12H20N2O MolecularWeight: 208.3

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)N(CC1)CC(C)CC#N

Isomeric SMILES

C[C@@H]1CCC(=O)N(CC1)C[C@@H](C)CC#N

InChI

InChI=1S/C12H20N2O/c1-10-3-4-12(15)14(8-6-10)9-11(2)5-7-13/h10-11H,3-6,8-9H2,1-2H3/t10-,11+/m1/s1