2-[4-[(4-oxidanylidene-2,6-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(4-oxidanylidene-2,6-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-oxo-2,6-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(4-oxo-2,6-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-oxo-2,6-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-keto-2,6-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile Formula: C24H25N3O MolecularWeight: 371.4748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)CCC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCC1=C(C(=O)N=C(N1)CCC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C24H25N3O/c1-3-7-22-21(24(28)27-23(26-22)8-4-2)15-17-11-13-18(14-12-17)20-10-6-5-9-19(20)16-25/h5-6,9-14H,3-4,7-8,15H2,1-2H3,(H,26,27,28)