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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-[(4-chlorophenyl)methyl]-3-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(4-chlorobenzyl)-3-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2/c1-14(2)20(26)25-10-9-16-5-8-19(11-17(16)13-25)24-21(27)23-12-15-3-6-18(22)7-4-15/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,23,24,27)