2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H20ClN3O5 MolecularWeight: 417.8429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)N)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)N)Cl)OCC(=O)N

InChI

InChI=1S/C20H20ClN3O5/c1-28-16-8-13(6-14(21)18(16)29-10-17(22)25)20(27)24-9-12-5-3-2-4-11(12)7-15(24)19(23)26/h2-6,8,15H,7,9-10H2,1H3,(H2,22,25)(H2,23,26)