[1-(4-cyanophenyl)-2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-(5-bromanyl-1H-indol-3-yl)ethanoate

Systemtic Name: [1-(4-cyanophenyl)-2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-(5-bromanyl-1H-indol-3-yl)ethanoate Openeye Name: [1-(4-cyanophenyl)-2-(cyclopropylamino)-2-oxo-ethyl] 2-(5-bromo-1H-indol-3-yl)acetate CAS Name: 2-(5-bromo-1H-indol-3-yl)acetic acid [1-(4-cyanophenyl)-2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [1-(4-cyanophenyl)-2-(cyclopropylamino)-2-oxoethyl] 2-(5-bromo-1H-indol-3-yl)acetate Traditional Name: 2-(5-bromo-1H-indol-3-yl)acetic acid [1-(4-cyanophenyl)-2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C22H18BrN3O3 MolecularWeight: 452.30062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=C(C=C2)C#N)OC(=O)CC3=CNC4=C3C=C(C=C4)Br

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=C(C=C2)C#N)OC(=O)CC3=CNC4=C3C=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3O3/c23-16-5-8-19-18(10-16)15(12-25-19)9-20(27)29-21(22(28)26-17-6-7-17)14-3-1-13(11-24)2-4-14/h1-5,8,10,12,17,21,25H,6-7,9H2,(H,26,28)