N-[2-(isoquinolin-5-ylamino)-2-oxidanylidene-ethyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-(isoquinolin-5-ylamino)-2-oxidanylidene-ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-(5-isoquinolylamino)-2-oxo-ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-(5-isoquinolinylamino)-2-oxoethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-(5-isoquinolylamino)-2-keto-ethyl]-3,4-dimethoxy-benzamide Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=CC3=C2C=CN=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=CC3=C2C=CN=C3)OC

InChI

InChI=1S/C20H19N3O4/c1-26-17-7-6-13(10-18(17)27-2)20(25)22-12-19(24)23-16-5-3-4-14-11-21-9-8-15(14)16/h3-11H,12H2,1-2H3,(H,22,25)(H,23,24)