methyl 4-[[[2-(isoquinolin-6-ylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[2-(isoquinolin-6-ylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[2-(6-isoquinolylamino)-2-oxo-ethyl]amino]methyl]benzoate CAS Name: 4-[[[2-(6-isoquinolinylamino)-2-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(isoquinolin-6-ylamino)-2-oxoethyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(6-isoquinolylamino)-2-keto-ethyl]amino]methyl]benzoic acid methyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNCC(=O)NC2=CC3=C(C=C2)C=NC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNCC(=O)NC2=CC3=C(C=C2)C=NC=C3

InChI

InChI=1S/C20H19N3O3/c1-26-20(25)15-4-2-14(3-5-15)11-22-13-19(24)23-18-7-6-17-12-21-9-8-16(17)10-18/h2-10,12,22H,11,13H2,1H3,(H,23,24)