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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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