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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-13(2)20(25)24-8-7-14-3-4-16(9-15(14)11-24)22-21(26)23-17-5-6-18-19(10-17)28-12-27-18/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H2,22,23,26)