1-(5-chloranyl-2-methoxy-phenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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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)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c1-13(2)20(26)25-9-8-14-4-6-17(10-15(14)12-25)23-21(27)24-18-11-16(22)5-7-19(18)28-3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,23,24,27)