11-[(4-bromophenyl)amino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile

Systemtic Name: 11-[(4-bromophenyl)amino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile Openeye Name: 11-(4-bromoanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile CAS Name: 11-(4-bromoanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile IUPAC Name: 11-(4-bromoanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile Traditional Name: 11-(4-bromoanilino)-7,8,9,10-tetrahydrobenzimidazol[1,2-b]isoquinoline-6-carbonitrile Formula: C22H17BrN4 MolecularWeight: 417.30118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)NC5=CC=C(C=C5)Br

Isomeric SMILES

C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)NC5=CC=C(C=C5)Br

InChI

InChI=1S/C22H17BrN4/c23-14-9-11-15(12-10-14)25-21-17-6-2-1-5-16(17)18(13-24)22-26-19-7-3-4-8-20(19)27(21)22/h3-4,7-12,25H,1-2,5-6H2