methyl 1-[2-(isoquinolin-5-ylamino)-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-(isoquinolin-5-ylamino)-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-(5-isoquinolylamino)-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-(5-isoquinolinylamino)-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(isoquinolin-5-ylamino)-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-(5-isoquinolylamino)-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H17N3O3/c1-27-21(26)17-12-24(19-8-3-2-6-16(17)19)13-20(25)23-18-7-4-5-14-11-22-10-9-15(14)18/h2-12H,13H2,1H3,(H,23,25)