N-[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]-4-[1-methoxyethyl(methyl)amino]but-2-ynamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]-4-[1-methoxyethyl(methyl)amino]but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-[1-methoxyethyl(methyl)amino]but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolinyl]-4-[1-methoxyethyl(methyl)amino]-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]-4-[1-methoxyethyl(methyl)amino]but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-[1-methoxyethyl(methyl)amino]but-2-ynamide Formula: C24H22BrN5O2 MolecularWeight: 492.36778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrN5O2/c1-16(32-3)30(2)11-5-8-23(31)28-20-9-10-22-21(13-20)24(17(14-26)15-27-22)29-19-7-4-6-18(25)12-19/h4,6-7,9-10,12-13,15-16H,11H2,1-3H3,(H,27,29)(H,28,31)