1-[(3-chlorophenyl)methyl]-3-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]urea

Systemtic Name: 1-[(3-chlorophenyl)methyl]-3-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]urea Openeye Name: 1-[(3-chlorophenyl)methyl]-3-(2-isobutyl-1-oxo-4-isoquinolyl)urea CAS Name: 1-[(3-chlorophenyl)methyl]-3-[2-(2-methylpropyl)-1-oxo-4-isoquinolinyl]urea IUPAC Name: 1-[(3-chlorophenyl)methyl]-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea Traditional Name: 1-(3-chlorobenzyl)-3-(2-isobutyl-1-keto-4-isoquinolyl)urea Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC=CC=C2C1=O)NC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)CN1C=C(C2=CC=CC=C2C1=O)NC(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-14(2)12-25-13-19(17-8-3-4-9-18(17)20(25)26)24-21(27)23-11-15-6-5-7-16(22)10-15/h3-10,13-14H,11-12H2,1-2H3,(H2,23,24,27)