pyridin-3-yl 3-[[2-(isoquinolin-6-ylamino)-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: pyridin-3-yl 3-[[2-(isoquinolin-6-ylamino)-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: 3-pyridyl 3-[[2-(6-isoquinolylamino)-2-oxo-ethyl]amino]benzoate CAS Name: 3-[[2-(6-isoquinolinylamino)-2-oxoethyl]amino]benzoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 3-[[2-(isoquinolin-6-ylamino)-2-oxoethyl]amino]benzoate Traditional Name: 3-[[2-(6-isoquinolylamino)-2-keto-ethyl]amino]benzoic acid 3-pyridyl ester Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC(=O)NC2=CC3=C(C=C2)C=NC=C3)C(=O)OC4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)NCC(=O)NC2=CC3=C(C=C2)C=NC=C3)C(=O)OC4=CN=CC=C4

InChI

InChI=1S/C23H18N4O3/c28-22(27-20-7-6-18-13-25-10-8-16(18)11-20)15-26-19-4-1-3-17(12-19)23(29)30-21-5-2-9-24-14-21/h1-14,26H,15H2,(H,27,28)