1-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3,4-dimethoxyphenyl)methyl]urea CAS Name: 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3,4-dimethoxyphenyl)methyl]urea IUPAC Name: 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3,4-dimethoxyphenyl)methyl]urea Traditional Name: 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-veratryl-urea Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N3O4/c1-14(25)24-9-8-16-5-6-18(11-17(16)13-24)23-21(26)22-12-15-4-7-19(27-2)20(10-15)28-3/h4-7,10-11H,8-9,12-13H2,1-3H3,(H2,22,23,26)