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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-veratryl-urea Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-4-21(26)25-10-9-16-6-7-18(12-17(16)14-25)24-22(27)23-13-15-5-8-19(28-2)20(11-15)29-3/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H2,23,24,27)