3-[[5-[(7-chloranylquinolin-4-yl)amino]-2-oxidanyl-phenyl]methyl]-1,1-diethyl-urea

Systemtic Name: 3-[[5-[(7-chloranylquinolin-4-yl)amino]-2-oxidanyl-phenyl]methyl]-1,1-diethyl-urea Openeye Name: 3-[[5-[(7-chloro-4-quinolyl)amino]-2-hydroxy-phenyl]methyl]-1,1-diethyl-urea CAS Name: 3-[[5-[(7-chloro-4-quinolinyl)amino]-2-hydroxyphenyl]methyl]-1,1-diethylurea IUPAC Name: 3-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl]-1,1-diethylurea Traditional Name: 3-[5-[(7-chloro-4-quinolyl)amino]-2-hydroxy-benzyl]-1,1-diethyl-urea Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)NCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O

Isomeric SMILES

CCN(CC)C(=O)NCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O

InChI

InChI=1S/C21H23ClN4O2/c1-3-26(4-2)21(28)24-13-14-11-16(6-8-20(14)27)25-18-9-10-23-19-12-15(22)5-7-17(18)19/h5-12,27H,3-4,13H2,1-2H3,(H,23,25)(H,24,28)