1-oxidanyl-1-[(E)-3-[1-oxidanylidene-2-(phenylmethyl)isoquinolin-6-yl]prop-2-enyl]urea

Systemtic Name: 1-oxidanyl-1-[(E)-3-[1-oxidanylidene-2-(phenylmethyl)isoquinolin-6-yl]prop-2-enyl]urea Openeye Name: 1-[(E)-3-(2-benzyl-1-oxo-6-isoquinolyl)allyl]-1-hydroxy-urea CAS Name: 1-hydroxy-1-[(E)-3-[1-oxo-2-(phenylmethyl)-6-isoquinolinyl]prop-2-enyl]urea IUPAC Name: 1-[(E)-3-(2-benzyl-1-oxoisoquinolin-6-yl)prop-2-enyl]-1-hydroxyurea Traditional Name: 1-[(E)-3-(2-benzyl-1-keto-6-isoquinolyl)allyl]-1-hydroxy-urea Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=CC(=C3)C=CCN(C(=O)N)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=CC(=C3)/C=C/CN(C(=O)N)O

InChI

InChI=1S/C20H19N3O3/c21-20(25)23(26)11-4-7-15-8-9-18-17(13-15)10-12-22(19(18)24)14-16-5-2-1-3-6-16/h1-10,12-13,26H,11,14H2,(H2,21,25)/b7-4+