2-chloranyl-N-[2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-1-oxidanylidene-3H-isoquinolin-7-yl]pyridine-3-carboxamide

Systemtic Name: 2-chloranyl-N-[2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-1-oxidanylidene-3H-isoquinolin-7-yl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-1-oxo-3H-isoquinolin-7-yl]pyridine-3-carboxamide CAS Name: 2-chloro-N-[2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-1-oxo-3H-isoquinolin-7-yl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-1-oxo-3H-isoquinolin-7-yl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-(1-keto-4,4-dimethyl-2-p-anisyl-3H-isoquinolin-7-yl)nicotinamide Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)C2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)CC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1(CN(C(=O)C2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)CC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C25H24ClN3O3/c1-25(2)15-29(14-16-6-9-18(32-3)10-7-16)24(31)20-13-17(8-11-21(20)25)28-23(30)19-5-4-12-27-22(19)26/h4-13H,14-15H2,1-3H3,(H,28,30)