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

Systemtic Name: 2-[6-bromanyl-9-(2-oxidanylidenepropyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-(9-acetonyl-6-bromo-1H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile CAS Name: 2-[6-bromo-9-(2-oxopropyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-bromo-9-(2-oxopropyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-(9-acetonyl-6-bromo-1H-phenanthr[9,10-d]imidazol-2-yl)isophthalonitrile Formula: C26H15BrN4O MolecularWeight: 479.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)Br)N=C(N3)C5=C(C=CC=C5C#N)C#N

Isomeric SMILES

CC(=O)CC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)Br)N=C(N3)C5=C(C=CC=C5C#N)C#N

InChI

InChI=1S/C26H15BrN4O/c1-14(32)9-15-5-7-19-21(10-15)22-11-18(27)6-8-20(22)25-24(19)30-26(31-25)23-16(12-28)3-2-4-17(23)13-29/h2-8,10-11H,9H2,1H3,(H,30,31)