2-[6-chloranyl-9-(4-methyl-4-pyrrol-1-yl-pentyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile

Systemtic Name: 2-[6-chloranyl-9-(4-methyl-4-pyrrol-1-yl-pentyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-chloro-9-(4-methyl-4-pyrrol-1-yl-pentyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-chloro-9-[4-methyl-4-(1-pyrrolyl)pentyl]-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-chloro-9-(4-methyl-4-pyrrol-1-ylpentyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-chloro-9-(4-methyl-4-pyrrol-1-yl-pentyl)-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C33H26ClN5 MolecularWeight: 528.04604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC1=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)(CCCC1=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/C33H26ClN5/c1-33(2,39-15-3-4-16-39)14-6-7-21-10-12-25-27(17-21)28-18-24(34)11-13-26(28)31-30(25)37-32(38-31)29-22(19-35)8-5-9-23(29)20-36/h3-5,8-13,15-18H,6-7,14H2,1-2H3,(H,37,38)