N-[4-[(3-bromophenyl)amino]-3-cyano-7-methoxy-quinolin-6-yl]but-2-ynamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-7-methoxy-quinolin-6-yl]but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-7-methoxy-6-quinolyl]but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-7-methoxy-6-quinolinyl]-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyano-7-methoxyquinolin-6-yl]but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-7-methoxy-6-quinolyl]but-2-ynamide Formula: C21H15BrN4O2 MolecularWeight: 435.2734

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br)OC

Isomeric SMILES

CC#CC(=O)NC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C21H15BrN4O2/c1-3-5-20(27)26-18-9-16-17(10-19(18)28-2)24-12-13(11-23)21(16)25-15-7-4-6-14(22)8-15/h4,6-10,12H,1-2H3,(H,24,25)(H,26,27)