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

Systemtic Name: 2-[6-chloranyl-9-(3-methyl-3-pyrrol-1-yl-but-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-chloro-9-(3-methyl-3-pyrrol-1-yl-but-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-chloro-9-[3-methyl-3-(1-pyrrolyl)but-1-ynyl]-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-chloro-9-(3-methyl-3-pyrrol-1-ylbut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-chloro-9-(3-methyl-3-pyrrol-1-yl-but-1-ynyl)-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C32H20ClN5 MolecularWeight: 509.9877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)Cl)N=C(N3)C5=C(C=CC=C5C#N)C#N)N6C=CC=C6

Isomeric SMILES

CC(C)(C#CC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)Cl)N=C(N3)C5=C(C=CC=C5C#N)C#N)N6C=CC=C6

InChI

InChI=1S/C32H20ClN5/c1-32(2,38-14-3-4-15-38)13-12-20-8-10-24-26(16-20)27-17-23(33)9-11-25(27)30-29(24)36-31(37-30)28-21(18-34)6-5-7-22(28)19-35/h3-11,14-17H,1-2H3,(H,36,37)