3-[5-methyl-3-oxidanylidene-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-2-yl]propanenitrile

Systemtic Name: 3-[5-methyl-3-oxidanylidene-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-2-yl]propanenitrile Openeye Name: 3-[5-methyl-3-oxo-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-2-yl]propanenitrile CAS Name: 3-[5-methyl-3-oxo-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-2-yl]propanenitrile IUPAC Name: 3-[5-methyl-3-oxo-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-2-yl]propanenitrile Traditional Name: 3-[5-keto-3-methyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3-pyrazolin-1-yl]propionitrile Formula: C13H18N4O MolecularWeight: 246.30822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)CCC#N)C2=NCCCCC2

Isomeric SMILES

CC1=C(C(=O)N(N1)CCC#N)C2=NCCCCC2

InChI

InChI=1S/C13H18N4O/c1-10-12(11-6-3-2-4-8-15-11)13(18)17(16-10)9-5-7-14/h16H,2-6,8-9H2,1H3