4-(phenylcarbonyl)-3H-4,7-phenanthroline-3-carbonitrile

Systemtic Name: 4-(phenylcarbonyl)-3H-4,7-phenanthroline-3-carbonitrile Openeye Name: 4-benzoyl-3H-4,7-phenanthroline-3-carbonitrile CAS Name: 4-benzoyl-3H-4,7-phenanthroline-3-carbonitrile IUPAC Name: 4-benzoyl-3H-4,7-phenanthroline-3-carbonitrile Traditional Name: 4-benzoyl-3H-4,7-phenanthroline-3-carbonitrile Formula: C20H13N3O MolecularWeight: 311.33672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C(C=CC3=C2C=CC4=C3C=CC=N4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C(C=CC3=C2C=CC4=C3C=CC=N4)C#N

InChI

InChI=1S/C20H13N3O/c21-13-15-8-9-17-16-7-4-12-22-18(16)10-11-19(17)23(15)20(24)14-5-2-1-3-6-14/h1-12,15H