2-[1-[2-(isoquinolin-5-ylamino)-2-oxidanylidene-ethyl]cyclopentyl]ethanoate

Systemtic Name: 2-[1-[2-(isoquinolin-5-ylamino)-2-oxidanylidene-ethyl]cyclopentyl]ethanoate Openeye Name: 2-[1-[2-(5-isoquinolylamino)-2-oxo-ethyl]cyclopentyl]acetate CAS Name: 2-[1-[2-(5-isoquinolinylamino)-2-oxoethyl]cyclopentyl]acetate IUPAC Name: 2-[1-[2-(isoquinolin-5-ylamino)-2-oxoethyl]cyclopentyl]acetate Traditional Name: 2-[1-[2-(5-isoquinolylamino)-2-keto-ethyl]cyclopentyl]acetate Formula: C18H19N2O3- MolecularWeight: 311.35506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC(=O)NC2=CC=CC3=C2C=CN=C3)CC(=O)[O-]

Isomeric SMILES

C1CCC(C1)(CC(=O)NC2=CC=CC3=C2C=CN=C3)CC(=O)[O-]

InChI

InChI=1S/C18H20N2O3/c21-16(10-18(11-17(22)23)7-1-2-8-18)20-15-5-3-4-13-12-19-9-6-14(13)15/h3-6,9,12H,1-2,7-8,10-11H2,(H,20,21)(H,22,23)/p-1