5-bromanyl-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)pyridine-3-carboxamide Openeye Name: 5-bromo-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)pyridine-3-carboxamide CAS Name: 5-bromo-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)pyridine-3-carboxamide Traditional Name: 5-bromo-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-9-yl)nicotinamide Formula: C18H18BrN3O4 MolecularWeight: 420.25722

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C(=C3C(=C2NC(=O)C4=CC(=CN=C4)Br)OCO3)OC

Isomeric SMILES

CN1CCC2=C(C1)C(=C3C(=C2NC(=O)C4=CC(=CN=C4)Br)OCO3)OC

InChI

InChI=1S/C18H18BrN3O4/c1-22-4-3-12-13(8-22)15(24-2)17-16(25-9-26-17)14(12)21-18(23)10-5-11(19)7-20-6-10/h5-7H,3-4,8-9H2,1-2H3,(H,21,23)