N-(2-azanyl-2-oxidanylidene-ethyl)-2-[1-(4-nitrophenyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-propyl-ethanamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-2-[1-(4-nitrophenyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-propyl-ethanamide Openeye Name: N-(2-amino-2-oxo-ethyl)-2-[6-hydroxy-1-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-propyl-acetamide CAS Name: N-(2-amino-2-oxoethyl)-2-[6-hydroxy-1-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-propylacetamide IUPAC Name: N-(2-amino-2-oxoethyl)-2-[6-hydroxy-1-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-propylacetamide Traditional Name: N-(2-amino-2-keto-ethyl)-2-[6-hydroxy-1-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-propyl-acetamide Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N)C(=O)CN1CCC2=C(C1C3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)O

Isomeric SMILES

CCCN(CC(=O)N)C(=O)CN1CCC2=C(C1C3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)O

InChI

InChI=1S/C22H26N4O5/c1-2-10-24(13-20(23)28)21(29)14-25-11-9-16-12-18(27)7-8-19(16)22(25)15-3-5-17(6-4-15)26(30)31/h3-8,12,22,27H,2,9-11,13-14H2,1H3,(H2,23,28)