4-(3-bromophenyl)-4-[7-(cyanomethoxy)indol-1-yl]butanenitrile

Systemtic Name: 4-(3-bromophenyl)-4-[7-(cyanomethoxy)indol-1-yl]butanenitrile Openeye Name: 4-(3-bromophenyl)-4-[7-(cyanomethoxy)indol-1-yl]butanenitrile CAS Name: 4-(3-bromophenyl)-4-[7-(cyanomethoxy)-1-indolyl]butanenitrile IUPAC Name: 4-(3-bromophenyl)-4-[7-(cyanomethoxy)indol-1-yl]butanenitrile Traditional Name: 4-(3-bromophenyl)-4-[7-(cyanomethoxy)indol-1-yl]butyronitrile Formula: C20H16BrN3O MolecularWeight: 394.26454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OCC#N)N(C=C2)C(CCC#N)C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC2=C(C(=C1)OCC#N)N(C=C2)C(CCC#N)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H16BrN3O/c21-17-6-1-5-16(14-17)18(7-3-10-22)24-12-9-15-4-2-8-19(20(15)24)25-13-11-23/h1-2,4-6,8-9,12,14,18H,3,7,13H2