N-(2-azanyl-2-oxidanylidene-ethyl)-2-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-2-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-2-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-2-(4-hydroxy-3,5-dimethoxy-benzyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CC3=CC=CC=C3CC2C(=O)NCC(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CC3=CC=CC=C3CC2C(=O)NCC(=O)N

InChI

InChI=1S/C21H25N3O5/c1-28-17-7-13(8-18(29-2)20(17)26)11-24-12-15-6-4-3-5-14(15)9-16(24)21(27)23-10-19(22)25/h3-8,16,26H,9-12H2,1-2H3,(H2,22,25)(H,23,27)