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

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-piperidin-1-yl-but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(1-piperidyl)but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-4-(1-piperidinyl)-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-piperidin-1-ylbut-2-ynamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-piperidino-but-2-ynamide Formula: C23H22BrN5O MolecularWeight: 464.35768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(CC1)CC#CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H22BrN5O/c24-17-6-4-7-18(14-17)28-23-20-15-19(9-10-21(20)25-16-26-23)27-22(30)8-5-13-29-11-2-1-3-12-29/h4,6-7,9-10,14-16H,1-3,11-13H2,(H,27,30)(H,25,26,28)