1-(4-azanylbutyl)-3-[2-[4-chloranyl-2-cyano-3-[methylamino-(2-methylquinolin-8-yl)oxy-methyl]phenyl]-2-oxidanylidene-ethyl]urea

Systemtic Name: 1-(4-azanylbutyl)-3-[2-[4-chloranyl-2-cyano-3-[methylamino-(2-methylquinolin-8-yl)oxy-methyl]phenyl]-2-oxidanylidene-ethyl]urea Openeye Name: 1-(4-aminobutyl)-3-[2-[4-chloro-2-cyano-3-[methylamino-[(2-methyl-8-quinolyl)oxy]methyl]phenyl]-2-oxo-ethyl]urea CAS Name: 1-(4-aminobutyl)-3-[2-[4-chloro-2-cyano-3-[methylamino-[(2-methyl-8-quinolinyl)oxy]methyl]phenyl]-2-oxoethyl]urea IUPAC Name: 1-(4-aminobutyl)-3-[2-[4-chloro-2-cyano-3-[methylamino-(2-methylquinolin-8-yl)oxymethyl]phenyl]-2-oxoethyl]urea Traditional Name: 1-(4-aminobutyl)-3-[2-[4-chloro-2-cyano-3-[methylamino-[(2-methyl-8-quinolyl)oxy]methyl]phenyl]-2-keto-ethyl]urea Formula: C26H29ClN6O3 MolecularWeight: 508.99986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(C3=C(C=CC(=C3C#N)C(=O)CNC(=O)NCCCCN)Cl)NC)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(C3=C(C=CC(=C3C#N)C(=O)CNC(=O)NCCCCN)Cl)NC)C=C1

InChI

InChI=1S/C26H29ClN6O3/c1-16-8-9-17-6-5-7-22(24(17)33-16)36-25(30-2)23-19(14-29)18(10-11-20(23)27)21(34)15-32-26(35)31-13-4-3-12-28/h5-11,25,30H,3-4,12-13,15,28H2,1-2H3,(H2,31,32,35)