N-[4-[(3-bromophenyl)amino]-3-cyano-8-(dimethylaminomethyl)quinolin-6-yl]ethanamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-8-(dimethylaminomethyl)quinolin-6-yl]ethanamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-8-(dimethylaminomethyl)-6-quinolyl]acetamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-8-(dimethylaminomethyl)-6-quinolinyl]acetamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyano-8-(dimethylaminomethyl)quinolin-6-yl]acetamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-8-(dimethylaminomethyl)-6-quinolyl]acetamide Formula: C21H20BrN5O MolecularWeight: 438.3204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br)CN(C)C

Isomeric SMILES

CC(=O)NC1=CC(=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br)CN(C)C

InChI

InChI=1S/C21H20BrN5O/c1-13(28)25-18-7-14(12-27(2)3)20-19(9-18)21(15(10-23)11-24-20)26-17-6-4-5-16(22)8-17/h4-9,11H,12H2,1-3H3,(H,24,26)(H,25,28)