4-methyl-4-(1H-perimidin-2-yl)pentanenitrile

Systemtic Name: 4-methyl-4-(1H-perimidin-2-yl)pentanenitrile Openeye Name: 4-methyl-4-(1H-perimidin-2-yl)pentanenitrile CAS Name: 4-methyl-4-(1H-perimidin-2-yl)pentanenitrile IUPAC Name: 4-methyl-4-(1H-perimidin-2-yl)pentanenitrile Traditional Name: 4-methyl-4-(1H-perimidin-2-yl)valeronitrile Formula: C17H17N3 MolecularWeight: 263.33698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC#N)C1=NC2=CC=CC3=C2C(=CC=C3)N1

Isomeric SMILES

CC(C)(CCC#N)C1=NC2=CC=CC3=C2C(=CC=C3)N1

InChI

InChI=1S/C17H17N3/c1-17(2,10-5-11-18)16-19-13-8-3-6-12-7-4-9-14(20-16)15(12)13/h3-4,6-9H,5,10H2,1-2H3,(H,19,20)