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

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]-4-(methoxymethoxy)but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-(methoxymethoxy)but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolinyl]-4-(methoxymethoxy)-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]-4-(methoxymethoxy)but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-(methoxymethoxy)but-2-ynamide Formula: C22H17BrN4O3 MolecularWeight: 465.29938

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Descriptors Computed from Structure

Canonical SMILES:

COCOCC#CC(=O)NC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC(=CC=C3)Br

Isomeric SMILES

COCOCC#CC(=O)NC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H17BrN4O3/c1-29-14-30-9-3-6-21(28)26-18-7-8-20-19(11-18)22(15(12-24)13-25-20)27-17-5-2-4-16(23)10-17/h2,4-5,7-8,10-11,13H,9,14H2,1H3,(H,25,27)(H,26,28)