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

Systemtic Name: 1-(4-chlorophenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-(4-chlorophenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(4-chlorophenyl)-3-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(4-chlorophenyl)-3-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C20H22ClN3O2 MolecularWeight: 371.86058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2/c1-13(2)19(25)24-10-9-14-3-6-18(11-15(14)12-24)23-20(26)22-17-7-4-16(21)5-8-17/h3-8,11,13H,9-10,12H2,1-2H3,(H2,22,23,26)