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

Systemtic Name: 1-oxidanyl-1-[(E)-3-[1-oxidanylidene-2-(3-phenylpropyl)isoquinolin-6-yl]prop-2-enyl]urea Openeye Name: 1-hydroxy-1-[(E)-3-[1-oxo-2-(3-phenylpropyl)-6-isoquinolyl]allyl]urea CAS Name: 1-hydroxy-1-[(E)-3-[1-oxo-2-(3-phenylpropyl)-6-isoquinolinyl]prop-2-enyl]urea IUPAC Name: 1-hydroxy-1-[(E)-3-[1-oxo-2-(3-phenylpropyl)isoquinolin-6-yl]prop-2-enyl]urea Traditional Name: 1-hydroxy-1-[(E)-3-[1-keto-2-(3-phenylpropyl)-6-isoquinolyl]allyl]urea Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C=CC3=C(C2=O)C=CC(=C3)C=CCN(C(=O)N)O

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C=CC3=C(C2=O)C=CC(=C3)/C=C/CN(C(=O)N)O

InChI

InChI=1S/C22H23N3O3/c23-22(27)25(28)14-5-9-18-10-11-20-19(16-18)12-15-24(21(20)26)13-4-8-17-6-2-1-3-7-17/h1-3,5-7,9-12,15-16,28H,4,8,13-14H2,(H2,23,27)/b9-5+