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

Systemtic Name: 2-[6-chloranyl-9-(2-pyrrol-1-ylethoxy)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-chloro-9-(2-pyrrol-1-ylethoxy)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-chloro-9-[2-(1-pyrrolyl)ethoxy]-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-chloro-9-(2-pyrrol-1-ylethoxy)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-chloro-9-(2-pyrrol-1-ylethoxy)-3H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C29H18ClN5O MolecularWeight: 487.93912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)CCOC2=CC3=C(C=C2)C4=C(C5=C3C=C(C=C5)Cl)NC(=N4)C6=C(C=CC=C6C#N)C#N

Isomeric SMILES

C1=CN(C=C1)CCOC2=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/C29H18ClN5O/c30-20-6-8-22-24(14-20)25-15-21(36-13-12-35-10-1-2-11-35)7-9-23(25)28-27(22)33-29(34-28)26-18(16-31)4-3-5-19(26)17-32/h1-11,14-15H,12-13H2,(H,33,34)