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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O4/c25-20(14-1-2-14)24-8-7-13-3-4-16(9-15(13)11-24)22-21(26)23-17-5-6-18-19(10-17)28-12-27-18/h3-6,9-10,14H,1-2,7-8,11-12H2,(H2,22,23,26)