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

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-(4-ethylpiperazin-1-yl)but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(4-ethylpiperazin-1-yl)but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-4-(4-ethyl-1-piperazinyl)-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(4-ethylpiperazin-1-yl)but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(4-ethylpiperazino)but-2-ynamide Formula: C24H25BrN6O MolecularWeight: 493.3989

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC#CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

Isomeric SMILES

CCN1CCN(CC1)CC#CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H25BrN6O/c1-2-30-11-13-31(14-12-30)10-4-7-23(32)28-20-8-9-22-21(16-20)24(27-17-26-22)29-19-6-3-5-18(25)15-19/h3,5-6,8-9,15-17H,2,10-14H2,1H3,(H,28,32)(H,26,27,29)