4-(5-azanyl-2,2-dimethyl-3-oxidanylidene-heptyl)benzenecarbonitrile

Systemtic Name: 4-(5-azanyl-2,2-dimethyl-3-oxidanylidene-heptyl)benzenecarbonitrile Openeye Name: 4-(5-amino-2,2-dimethyl-3-oxo-heptyl)benzonitrile CAS Name: 4-(5-amino-2,2-dimethyl-3-oxoheptyl)benzonitrile IUPAC Name: 4-(5-amino-2,2-dimethyl-3-oxoheptyl)benzonitrile Traditional Name: 4-(5-amino-3-keto-2,2-dimethyl-heptyl)benzonitrile Formula: C16H22N2O MolecularWeight: 258.35868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)C(C)(C)CC1=CC=C(C=C1)C#N)N

Isomeric SMILES

CCC(CC(=O)C(C)(C)CC1=CC=C(C=C1)C#N)N

InChI

InChI=1S/C16H22N2O/c1-4-14(18)9-15(19)16(2,3)10-12-5-7-13(11-17)8-6-12/h5-8,14H,4,9-10,18H2,1-3H3