4-[(4-bromophenyl)methylamino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid

Systemtic Name: 4-[(4-bromophenyl)methylamino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid Openeye Name: 4-[(4-bromophenyl)methylamino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid CAS Name: 4-[(4-bromophenyl)methylamino]-6-cyano-8-ethyl-3-quinolinecarboxylic acid IUPAC Name: 4-[(4-bromophenyl)methylamino]-6-cyano-8-ethylquinoline-3-carboxylic acid Traditional Name: 4-[(4-bromobenzyl)amino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid Formula: C20H16BrN3O2 MolecularWeight: 410.26394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C(C(=CN=C12)C(=O)O)NCC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CCC1=CC(=CC2=C(C(=CN=C12)C(=O)O)NCC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C20H16BrN3O2/c1-2-14-7-13(9-22)8-16-18(14)24-11-17(20(25)26)19(16)23-10-12-3-5-15(21)6-4-12/h3-8,11H,2,10H2,1H3,(H,23,24)(H,25,26)