1-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3,4,5-trimethoxyphenyl)urea

Systemtic Name: 1-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3,4,5-trimethoxyphenyl)urea Openeye Name: 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3,4,5-trimethoxyphenyl)urea CAS Name: 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3,4,5-trimethoxyphenyl)urea IUPAC Name: 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3,4,5-trimethoxyphenyl)urea Traditional Name: 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3,4,5-trimethoxyphenyl)urea Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-13(25)24-8-7-14-5-6-16(9-15(14)12-24)22-21(26)23-17-10-18(27-2)20(29-4)19(11-17)28-3/h5-6,9-11H,7-8,12H2,1-4H3,(H2,22,23,26)