1-[4-[2-(3-azanyl-2-oxidanyl-propoxy)-6-cyano-3,7-diethyl-quinolin-4-yl]oxy-2-chloranyl-phenyl]-3-methyl-urea

Systemtic Name: 1-[4-[2-(3-azanyl-2-oxidanyl-propoxy)-6-cyano-3,7-diethyl-quinolin-4-yl]oxy-2-chloranyl-phenyl]-3-methyl-urea Openeye Name: 1-[4-[[2-(3-amino-2-hydroxy-propoxy)-6-cyano-3,7-diethyl-4-quinolyl]oxy]-2-chloro-phenyl]-3-methyl-urea CAS Name: 1-[4-[[2-(3-amino-2-hydroxypropoxy)-6-cyano-3,7-diethyl-4-quinolinyl]oxy]-2-chlorophenyl]-3-methylurea IUPAC Name: 1-[4-[2-(3-amino-2-hydroxypropoxy)-6-cyano-3,7-diethylquinolin-4-yl]oxy-2-chlorophenyl]-3-methylurea Traditional Name: 1-[4-[[2-(3-amino-2-hydroxy-propoxy)-6-cyano-3,7-diethyl-4-quinolyl]oxy]-2-chloro-phenyl]-3-methyl-urea Formula: C25H28ClN5O4 MolecularWeight: 497.97392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#N)C(=C(C(=N2)OCC(CN)O)CC)OC3=CC(=C(C=C3)NC(=O)NC)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1C#N)C(=C(C(=N2)OCC(CN)O)CC)OC3=CC(=C(C=C3)NC(=O)NC)Cl

InChI

InChI=1S/C25H28ClN5O4/c1-4-14-9-22-19(8-15(14)11-27)23(18(5-2)24(30-22)34-13-16(32)12-28)35-17-6-7-21(20(26)10-17)31-25(33)29-3/h6-10,16,32H,4-5,12-13,28H2,1-3H3,(H2,29,31,33)