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

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]-4-[di(propan-2-yl)amino]but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-(diisopropylamino)but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolinyl]-4-[di(propan-2-yl)amino]-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]-4-[di(propan-2-yl)amino]but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-(diisopropylamino)but-2-ynamide Formula: C26H26BrN5O MolecularWeight: 504.42154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC#CC(=O)NC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC(=CC=C3)Br)C(C)C

Isomeric SMILES

CC(C)N(CC#CC(=O)NC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC(=CC=C3)Br)C(C)C

InChI

InChI=1S/C26H26BrN5O/c1-17(2)32(18(3)4)12-6-9-25(33)30-22-10-11-24-23(14-22)26(19(15-28)16-29-24)31-21-8-5-7-20(27)13-21/h5,7-8,10-11,13-14,16-18H,12H2,1-4H3,(H,29,31)(H,30,33)