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

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-7-methoxy-quinolin-6-yl]-4-(dimethylamino)but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-7-methoxy-6-quinolyl]-4-(dimethylamino)but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-7-methoxy-6-quinolinyl]-4-(dimethylamino)-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyano-7-methoxyquinolin-6-yl]-4-(dimethylamino)but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-7-methoxy-6-quinolyl]-4-(dimethylamino)but-2-ynamide Formula: C23H20BrN5O2 MolecularWeight: 478.3412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN5O2/c1-29(2)9-5-8-22(30)28-20-11-18-19(12-21(20)31-3)26-14-15(13-25)23(18)27-17-7-4-6-16(24)10-17/h4,6-7,10-12,14H,9H2,1-3H3,(H,26,27)(H,28,30)