3-[4-[4-(2-methylpropyl)phenyl]-1-oxidanylidene-phthalazin-2-yl]propanenitrile

Systemtic Name: 3-[4-[4-(2-methylpropyl)phenyl]-1-oxidanylidene-phthalazin-2-yl]propanenitrile Openeye Name: 3-[4-(4-isobutylphenyl)-1-oxo-phthalazin-2-yl]propanenitrile CAS Name: 3-[4-[4-(2-methylpropyl)phenyl]-1-oxo-2-phthalazinyl]propanenitrile IUPAC Name: 3-[4-[4-(2-methylpropyl)phenyl]-1-oxophthalazin-2-yl]propanenitrile Traditional Name: 3-[4-(4-isobutylphenyl)-1-keto-phthalazin-2-yl]propionitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC#N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C21H21N3O/c1-15(2)14-16-8-10-17(11-9-16)20-18-6-3-4-7-19(18)21(25)24(23-20)13-5-12-22/h3-4,6-11,15H,5,13-14H2,1-2H3