[3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-bis(oxidanylidene)-2-prop-2-enyl-isoquinolin-7-yl] quinoxaline-2-carboxylate

Systemtic Name: [3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-bis(oxidanylidene)-2-prop-2-enyl-isoquinolin-7-yl] quinoxaline-2-carboxylate Openeye Name: [2-allyl-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxo-7-isoquinolyl] quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxo-2-prop-2-enyl-7-isoquinolinyl] ester IUPAC Name: [3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxo-2-prop-2-enylisoquinolin-7-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid [2-allyl-6,8-diketo-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-7-isoquinolyl] ester Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC=C)C=CCOC)OC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC=C)/C=C/COC)OC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C26H23N3O5/c1-4-11-29-16-19-17(13-18(29)8-7-12-33-3)14-23(30)26(2,24(19)31)34-25(32)22-15-27-20-9-5-6-10-21(20)28-22/h4-10,13-16H,1,11-12H2,2-3H3/b8-7+