1-oxidanyl-1-[(E)-3-[1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinolin-6-yl]prop-2-enyl]urea

Systemtic Name: 1-oxidanyl-1-[(E)-3-[1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinolin-6-yl]prop-2-enyl]urea Openeye Name: 1-[(E)-3-(2-benzyl-1-oxo-3,4-dihydroisoquinolin-6-yl)allyl]-1-hydroxy-urea CAS Name: 1-hydroxy-1-[(E)-3-[1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinolin-6-yl]prop-2-enyl]urea IUPAC Name: 1-[(E)-3-(2-benzyl-1-oxo-3,4-dihydroisoquinolin-6-yl)prop-2-enyl]-1-hydroxyurea Traditional Name: 1-[(E)-3-(2-benzyl-1-keto-3,4-dihydroisoquinolin-6-yl)allyl]-1-hydroxy-urea Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)C=CCN(C(=O)N)O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)/C=C/CN(C(=O)N)O)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3/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/h1-9,13,26H,10-12,14H2,(H2,21,25)/b7-4+