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

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]-4-oxidanyl-but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-hydroxy-but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolinyl]-4-hydroxy-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]-4-hydroxybut-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-hydroxy-but-2-ynamide Formula: C20H13BrN4O2 MolecularWeight: 421.24682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=C3C=C(C=CC3=NC=C2C#N)NC(=O)C#CCO

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=C3C=C(C=CC3=NC=C2C#N)NC(=O)C#CCO

InChI

InChI=1S/C20H13BrN4O2/c21-14-3-1-4-15(9-14)25-20-13(11-22)12-23-18-7-6-16(10-17(18)20)24-19(27)5-2-8-26/h1,3-4,6-7,9-10,12,26H,8H2,(H,23,25)(H,24,27)