1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethyl-butan-1-one

Systemtic Name: 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethyl-butan-1-one Openeye Name: 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethyl-butan-1-one CAS Name: 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethyl-1-butanone IUPAC Name: 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethylbutan-1-one Traditional Name: 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethyl-butan-1-one Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CCC(CC)C(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C24H30N2O6/c1-5-16(6-2)24(27)25-12-11-17-13-22(30-3)23(31-4)14-20(17)21(25)15-32-19-9-7-18(8-10-19)26(28)29/h7-10,13-14,16,21H,5-6,11-12,15H2,1-4H3