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

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]-3-(methoxymethoxy)prop-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-3-(methoxymethoxy)prop-2-ynamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolinyl]-3-(methoxymethoxy)-2-propynamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]-3-(methoxymethoxy)prop-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-3-(methoxymethoxy)propiolamide Formula: C21H15BrN4O3 MolecularWeight: 451.2728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN4O3/c1-28-13-29-8-7-20(27)25-17-5-6-19-18(10-17)21(14(11-23)12-24-19)26-16-4-2-3-15(22)9-16/h2-6,9-10,12H,13H2,1H3,(H,24,26)(H,25,27)