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

Systemtic Name: 2-(6-chloranyl-9-cyclopropylcarbonyl-3H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile Openeye Name: 2-[6-chloro-9-(cyclopropanecarbonyl)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-chloro-9-[cyclopropyl(oxo)methyl]-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-chloro-9-(cyclopropanecarbonyl)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-chloro-9-(cyclopropanecarbonyl)-3H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C27H15ClN4O MolecularWeight: 446.8872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C2=CC3=C(C=C2)C4=C(C5=C3C=C(C=C5)Cl)NC(=N4)C6=C(C=CC=C6C#N)C#N

Isomeric SMILES

C1CC1C(=O)C2=CC3=C(C=C2)C4=C(C5=C3C=C(C=C5)Cl)NC(=N4)C6=C(C=CC=C6C#N)C#N

InChI

InChI=1S/C27H15ClN4O/c28-18-7-9-20-22(11-18)21-10-15(26(33)14-4-5-14)6-8-19(21)24-25(20)32-27(31-24)23-16(12-29)2-1-3-17(23)13-30/h1-3,6-11,14H,4-5H2,(H,31,32)