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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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