N-[4-[(3-bromophenyl)amino]-3-cyano-8-(dimethylaminomethyl)quinolin-6-yl]but-2-ynamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-8-(dimethylaminomethyl)quinolin-6-yl]but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-8-(dimethylaminomethyl)-6-quinolyl]but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-8-(dimethylaminomethyl)-6-quinolinyl]-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyano-8-(dimethylaminomethyl)quinolin-6-yl]but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-8-(dimethylaminomethyl)-6-quinolyl]but-2-ynamide Formula: C23H20BrN5O MolecularWeight: 462.3418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN5O/c1-4-6-21(30)27-19-9-15(14-29(2)3)22-20(11-19)23(16(12-25)13-26-22)28-18-8-5-7-17(24)10-18/h5,7-11,13H,14H2,1-3H3,(H,26,28)(H,27,30)