3-azanyl-5-[3-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[(5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[(3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Formula: C15H21N5O MolecularWeight: 287.36014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)NCCCC2=C(C(=NN2)N)C#N)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)NCCCC2=C(C(=NN2)N)C#N)C

InChI

InChI=1S/C15H21N5O/c1-15(2)7-10(6-11(21)8-15)18-5-3-4-13-12(9-16)14(17)20-19-13/h6,18H,3-5,7-8H2,1-2H3,(H3,17,19,20)