2-(6-chloranyl-9-ethanoyl-3H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile

Systemtic Name: 2-(6-chloranyl-9-ethanoyl-3H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile Openeye Name: 2-(9-acetyl-6-chloro-3H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile CAS Name: 2-(9-acetyl-6-chloro-3H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile IUPAC Name: 2-(9-acetyl-6-chloro-3H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile Traditional Name: 2-(9-acetyl-6-chloro-3H-phenanthr[9,10-d]imidazol-2-yl)isophthalonitrile Formula: C25H13ClN4O MolecularWeight: 420.84992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)Cl)NC(=N3)C5=C(C=CC=C5C#N)C#N

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)Cl)NC(=N3)C5=C(C=CC=C5C#N)C#N

InChI

InChI=1S/C25H13ClN4O/c1-13(31)14-5-7-18-20(9-14)21-10-17(26)6-8-19(21)24-23(18)29-25(30-24)22-15(11-27)3-2-4-16(22)12-28/h2-10H,1H3,(H,29,30)