1-(1,3-benzodioxol-5-ylmethyl)-3-isoquinolin-5-yl-urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-isoquinolin-5-yl-urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-isoquinolyl)urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-isoquinolinyl)urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-isoquinolin-5-ylurea Traditional Name: 1-(5-isoquinolyl)-3-piperonyl-urea Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C18H15N3O3/c22-18(20-9-12-4-5-16-17(8-12)24-11-23-16)21-15-3-1-2-13-10-19-7-6-14(13)15/h1-8,10H,9,11H2,(H2,20,21,22)