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

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolinyl]-4-[2-(methoxymethyl)-1-pyrrolidinyl]-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-[2-(methoxymethyl)pyrrolidino]but-2-ynamide Formula: C26H24BrN5O2 MolecularWeight: 518.40506

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCCN1CC#CC(=O)NC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=CC=C4)Br

Isomeric SMILES

COCC1CCCN1CC#CC(=O)NC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C26H24BrN5O2/c1-34-17-22-7-3-11-32(22)12-4-8-25(33)30-21-9-10-24-23(14-21)26(18(15-28)16-29-24)31-20-6-2-5-19(27)13-20/h2,5-6,9-10,13-14,16,22H,3,7,11-12,17H2,1H3,(H,29,31)(H,30,33)