5-[(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)methyl]-2-phenyl-benzenecarbonitrile

Systemtic Name: 5-[(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)methyl]-2-phenyl-benzonitrile CAS Name: 5-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)methyl]-2-phenylbenzonitrile IUPAC Name: 5-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)methyl]-2-phenylbenzonitrile Traditional Name: 5-[(4-keto-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)methyl]-2-phenyl-benzonitrile Formula: C21H17N3O MolecularWeight: 327.37918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NC(=NC2=O)CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CC2=C(C1)NC(=NC2=O)CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H17N3O/c22-13-16-11-14(9-10-17(16)15-5-2-1-3-6-15)12-20-23-19-8-4-7-18(19)21(25)24-20/h1-3,5-6,9-11H,4,7-8,12H2,(H,23,24,25)