1-[(4-tert-butylphenyl)methyl]-3-(6-chloranylpyridin-3-yl)carbonyl-6,7-dimethoxy-quinolin-4-one

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-(6-chloranylpyridin-3-yl)carbonyl-6,7-dimethoxy-quinolin-4-one Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-(6-chloropyridine-3-carbonyl)-6,7-dimethoxy-quinolin-4-one CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[(6-chloro-3-pyridinyl)-oxomethyl]-6,7-dimethoxy-4-quinolinone IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-(6-chloropyridine-3-carbonyl)-6,7-dimethoxyquinolin-4-one Traditional Name: 1-(4-tert-butylbenzyl)-3-(6-chloronicotinoyl)-6,7-dimethoxy-4-quinolone Formula: C28H27ClN2O4 MolecularWeight: 490.97798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C(=O)C3=CC(=C(C=C32)OC)OC)C(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C(=O)C3=CC(=C(C=C32)OC)OC)C(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C28H27ClN2O4/c1-28(2,3)19-9-6-17(7-10-19)15-31-16-21(26(32)18-8-11-25(29)30-14-18)27(33)20-12-23(34-4)24(35-5)13-22(20)31/h6-14,16H,15H2,1-5H3