N-(1-azanyl-1-oxidanylidene-propan-2-yl)-3-isoquinolin-7-yloxy-4,5-bis(oxidanyl)cyclohexene-1-carboxamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-propan-2-yl)-3-isoquinolin-7-yloxy-4,5-bis(oxidanyl)cyclohexene-1-carboxamide Openeye Name: N-(2-amino-1-methyl-2-oxo-ethyl)-4,5-dihydroxy-3-(7-isoquinolyloxy)cyclohexene-1-carboxamide CAS Name: N-(1-amino-1-oxopropan-2-yl)-4,5-dihydroxy-3-(7-isoquinolinyloxy)-1-cyclohexenecarboxamide IUPAC Name: N-(1-amino-1-oxopropan-2-yl)-4,5-dihydroxy-3-isoquinolin-7-yloxycyclohexene-1-carboxamide Traditional Name: N-(2-amino-2-keto-1-methyl-ethyl)-4,5-dihydroxy-3-(7-isoquinolyloxy)cyclohexene-1-carboxamide Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C1=CC(C(C(C1)O)O)OC2=CC3=C(C=C2)C=CN=C3

Isomeric SMILES

CC(C(=O)N)NC(=O)C1=CC(C(C(C1)O)O)OC2=CC3=C(C=C2)C=CN=C3

InChI

InChI=1S/C19H21N3O5/c1-10(18(20)25)22-19(26)12-7-15(23)17(24)16(8-12)27-14-3-2-11-4-5-21-9-13(11)6-14/h2-6,8-10,15-17,23-24H,7H2,1H3,(H2,20,25)(H,22,26)