methyl 1-oxidanylidene-2-[(1,2,3-trimethylindol-5-yl)carbonylamino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-[(1,2,3-trimethylindol-5-yl)carbonylamino]isoquinoline-4-carboxylate Openeye Name: methyl 1-oxo-2-[(1,2,3-trimethylindole-5-carbonyl)amino]isoquinoline-4-carboxylate CAS Name: 1-oxo-2-[[oxo-(1,2,3-trimethyl-5-indolyl)methyl]amino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-[(1,2,3-trimethylindole-5-carbonyl)amino]isoquinoline-4-carboxylate Traditional Name: 1-keto-2-[(1,2,3-trimethylindole-5-carbonyl)amino]isoquinoline-4-carboxylic acid methyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)NN3C=C(C4=CC=CC=C4C3=O)C(=O)OC)C)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)NN3C=C(C4=CC=CC=C4C3=O)C(=O)OC)C)C

InChI

InChI=1S/C23H21N3O4/c1-13-14(2)25(3)20-10-9-15(11-18(13)20)21(27)24-26-12-19(23(29)30-4)16-7-5-6-8-17(16)22(26)28/h5-12H,1-4H3,(H,24,27)