1-octan-3-ylphthalazine-6-carbonitrile

Systemtic Name: 1-octan-3-ylphthalazine-6-carbonitrile Openeye Name: 1-(1-ethylhexyl)phthalazine-6-carbonitrile CAS Name: 1-octan-3-yl-6-phthalazinecarbonitrile IUPAC Name: 1-octan-3-ylphthalazine-6-carbonitrile Traditional Name: 1-(1-ethylhexyl)phthalazine-6-carbonitrile Formula: C17H21N3 MolecularWeight: 267.36874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C2C=CC(=CC2=CN=N1)C#N

Isomeric SMILES

CCCCCC(CC)C1=C2C=CC(=CC2=CN=N1)C#N

InChI

InChI=1S/C17H21N3/c1-3-5-6-7-14(4-2)17-16-9-8-13(11-18)10-15(16)12-19-20-17/h8-10,12,14H,3-7H2,1-2H3