methyl 2-(2,3-dimethylquinoxalin-6-yl)carbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-(2,3-dimethylquinoxalin-6-yl)carbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[(2,3-dimethyl-6-quinoxalinyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N3CCC4=C(C3)C=C(C=C4)C(=O)OC)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N3CCC4=C(C3)C=C(C=C4)C(=O)OC)N=C1C

InChI

InChI=1S/C22H21N3O3/c1-13-14(2)24-20-11-16(6-7-19(20)23-13)21(26)25-9-8-15-4-5-17(22(27)28-3)10-18(15)12-25/h4-7,10-11H,8-9,12H2,1-3H3