2-[1-[2-(isoquinolin-3-ylamino)-2-oxidanylidene-ethyl]cyclohexyl]ethanoate

Systemtic Name: 2-[1-[2-(isoquinolin-3-ylamino)-2-oxidanylidene-ethyl]cyclohexyl]ethanoate Openeye Name: 2-[1-[2-(3-isoquinolylamino)-2-oxo-ethyl]cyclohexyl]acetate CAS Name: 2-[1-[2-(3-isoquinolinylamino)-2-oxoethyl]cyclohexyl]acetate IUPAC Name: 2-[1-[2-(isoquinolin-3-ylamino)-2-oxoethyl]cyclohexyl]acetate Traditional Name: 2-[1-[2-(3-isoquinolylamino)-2-keto-ethyl]cyclohexyl]acetate Formula: C19H21N2O3- MolecularWeight: 325.38164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)NC2=CC3=CC=CC=C3C=N2)CC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)(CC(=O)NC2=CC3=CC=CC=C3C=N2)CC(=O)[O-]

InChI

InChI=1S/C19H22N2O3/c22-17(11-19(12-18(23)24)8-4-1-5-9-19)21-16-10-14-6-2-3-7-15(14)13-20-16/h2-3,6-7,10,13H,1,4-5,8-9,11-12H2,(H,23,24)(H,20,21,22)/p-1