2-[(3-bromophenyl)amino]-2-[3-cyano-8-(dimethylaminomethyl)quinolin-6-yl]ethanamide

Systemtic Name: 2-[(3-bromophenyl)amino]-2-[3-cyano-8-(dimethylaminomethyl)quinolin-6-yl]ethanamide Openeye Name: 2-(3-bromoanilino)-2-[3-cyano-8-(dimethylaminomethyl)-6-quinolyl]acetamide CAS Name: 2-(3-bromoanilino)-2-[3-cyano-8-(dimethylaminomethyl)-6-quinolinyl]acetamide IUPAC Name: 2-(3-bromoanilino)-2-[3-cyano-8-(dimethylaminomethyl)quinolin-6-yl]acetamide Traditional Name: 2-(3-bromoanilino)-2-[3-cyano-8-(dimethylaminomethyl)-6-quinolyl]acetamide Formula: C21H20BrN5O MolecularWeight: 438.3204

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C2C(=CC(=C1)C(C(=O)N)NC3=CC(=CC=C3)Br)C=C(C=N2)C#N

Isomeric SMILES

CN(C)CC1=C2C(=CC(=C1)C(C(=O)N)NC3=CC(=CC=C3)Br)C=C(C=N2)C#N

InChI

InChI=1S/C21H20BrN5O/c1-27(2)12-16-8-15(7-14-6-13(10-23)11-25-19(14)16)20(21(24)28)26-18-5-3-4-17(22)9-18/h3-9,11,20,26H,12H2,1-2H3,(H2,24,28)