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

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]-4-(1-ethylpiperazin-1-ium-1-yl)but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-(1-ethylpiperazin-1-ium-1-yl)but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolinyl]-4-(1-ethyl-1-piperazin-1-iumyl)-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]-4-(1-ethylpiperazin-1-ium-1-yl)but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-(1-ethylpiperazin-1-ium-1-yl)but-2-ynamide Formula: C26H26BrN6O+ MolecularWeight: 518.42824

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCNCC1)CC#CC(=O)NC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=CC=C4)Br

Isomeric SMILES

CC[N+]1(CCNCC1)CC#CC(=O)NC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C26H25BrN6O/c1-2-33(13-10-29-11-14-33)12-4-7-25(34)31-22-8-9-24-23(16-22)26(19(17-28)18-30-24)32-21-6-3-5-20(27)15-21/h3,5-6,8-9,15-16,18,29H,2,10-14H2,1H3,(H-,30,31,32,34)/p+1