2-[4-[(5-butyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(5-butyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(5-butyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(5-butyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-butyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(5-butyl-7-keto-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzonitrile Formula: C24H22N4O MolecularWeight: 382.45768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N2C(=N1)C=CN2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCC1=C(C(=O)N2C(=N1)C=CN2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H22N4O/c1-2-3-8-22-21(24(29)28-23(27-22)13-14-26-28)15-17-9-11-18(12-10-17)20-7-5-4-6-19(20)16-25/h4-7,9-14,26H,2-3,8,15H2,1H3