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

Systemtic Name: phenyl 3-[[2-(isoquinolin-6-ylamino)-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: phenyl 3-[[2-(6-isoquinolylamino)-2-oxo-ethyl]amino]benzoate CAS Name: 3-[[2-(6-isoquinolinylamino)-2-oxoethyl]amino]benzoic acid phenyl ester IUPAC Name: phenyl 3-[[2-(isoquinolin-6-ylamino)-2-oxoethyl]amino]benzoate Traditional Name: 3-[[2-(6-isoquinolylamino)-2-keto-ethyl]amino]benzoic acid phenyl ester Formula: C24H19N3O3 MolecularWeight: 397.42596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)NCC(=O)NC3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)NCC(=O)NC3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C24H19N3O3/c28-23(27-21-10-9-19-15-25-12-11-17(19)13-21)16-26-20-6-4-5-18(14-20)24(29)30-22-7-2-1-3-8-22/h1-15,26H,16H2,(H,27,28)