11-(3-methylbutylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile

Systemtic Name: 11-(3-methylbutylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile Openeye Name: 11-(isopentylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile CAS Name: 11-(3-methylbutylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile IUPAC Name: 11-(3-methylbutylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile Traditional Name: 11-(isoamylamino)-7,8,9,10-tetrahydrobenzimidazol[1,2-b]isoquinoline-6-carbonitrile Formula: C21H24N4 MolecularWeight: 332.44206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C2CCCCC2=C(C3=NC4=CC=CC=C4N13)C#N

Isomeric SMILES

CC(C)CCNC1=C2CCCCC2=C(C3=NC4=CC=CC=C4N13)C#N

InChI

InChI=1S/C21H24N4/c1-14(2)11-12-23-20-16-8-4-3-7-15(16)17(13-22)21-24-18-9-5-6-10-19(18)25(20)21/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3