4-tert-butyl-N-[2-[(3-chlorophenyl)amino]-4-methyl-quinolin-6-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[(3-chlorophenyl)amino]-4-methyl-quinolin-6-yl]benzamide Openeye Name: 4-tert-butyl-N-[2-(3-chloroanilino)-4-methyl-6-quinolyl]benzamide CAS Name: 4-tert-butyl-N-[2-(3-chloroanilino)-4-methyl-6-quinolinyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-(3-chloroanilino)-4-methyl-6-quinolyl]benzamide Formula: C27H26ClN3O MolecularWeight: 443.96784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H26ClN3O/c1-17-14-25(29-21-7-5-6-20(28)15-21)31-24-13-12-22(16-23(17)24)30-26(32)18-8-10-19(11-9-18)27(2,3)4/h5-16H,1-4H3,(H,29,31)(H,30,32)