1-(1,3-benzodioxol-5-yl)-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O4/c1-2-19(24)23-8-7-13-3-4-15(9-14(13)11-23)21-20(25)22-16-5-6-17-18(10-16)27-12-26-17/h3-6,9-10H,2,7-8,11-12H2,1H3,(H2,21,22,25)