N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-(4-methylpiperazin-1-yl)but-2-ynamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-(4-methylpiperazin-1-yl)but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(4-methylpiperazin-1-yl)but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-4-(4-methyl-1-piperazinyl)-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(4-methylpiperazin-1-yl)but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(4-methylpiperazino)but-2-ynamide Formula: C23H23BrN6O MolecularWeight: 479.37232

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC#CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

Isomeric SMILES

CN1CCN(CC1)CC#CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H23BrN6O/c1-29-10-12-30(13-11-29)9-3-6-22(31)27-19-7-8-21-20(15-19)23(26-16-25-21)28-18-5-2-4-17(24)14-18/h2,4-5,7-8,14-16H,9-13H2,1H3,(H,27,31)(H,25,26,28)