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

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]-4-(diethylamino)but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-(diethylamino)but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolinyl]-4-(diethylamino)-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]-4-(diethylamino)but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-(diethylamino)but-2-ynamide Formula: C24H22BrN5O MolecularWeight: 476.36838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrN5O/c1-3-30(4-2)12-6-9-23(31)28-20-10-11-22-21(14-20)24(17(15-26)16-27-22)29-19-8-5-7-18(25)13-19/h5,7-8,10-11,13-14,16H,3-4,12H2,1-2H3,(H,27,29)(H,28,31)