3-butyl-4-methyl-4H-phthalazine-1-carbonitrile

Systemtic Name: 3-butyl-4-methyl-4H-phthalazine-1-carbonitrile Openeye Name: 3-butyl-4-methyl-4H-phthalazine-1-carbonitrile CAS Name: 3-butyl-4-methyl-4H-phthalazine-1-carbonitrile IUPAC Name: 3-butyl-4-methyl-4H-phthalazine-1-carbonitrile Traditional Name: 3-butyl-4-methyl-4H-phthalazine-1-carbonitrile Formula: C14H17N3 MolecularWeight: 227.30488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=CC=CC=C2C(=N1)C#N)C

Isomeric SMILES

CCCCN1C(C2=CC=CC=C2C(=N1)C#N)C

InChI

InChI=1S/C14H17N3/c1-3-4-9-17-11(2)12-7-5-6-8-13(12)14(10-15)16-17/h5-8,11H,3-4,9H2,1-2H3