1-[2-[5-azanyl-4-methoxy-2-methyl-7-[3-(4-methylpiperazin-1-yl)carbonylphenyl]-3-phenylmethoxy-quinolin-6-yl]-2-oxidanylidene-ethyl]urea

Systemtic Name: 1-[2-[5-azanyl-4-methoxy-2-methyl-7-[3-(4-methylpiperazin-1-yl)carbonylphenyl]-3-phenylmethoxy-quinolin-6-yl]-2-oxidanylidene-ethyl]urea Openeye Name: [2-[5-amino-3-benzyloxy-4-methoxy-2-methyl-7-[3-(4-methylpiperazine-1-carbonyl)phenyl]-6-quinolyl]-2-oxo-ethyl]urea CAS Name: [2-[5-amino-4-methoxy-2-methyl-7-[3-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]-3-phenylmethoxy-6-quinolinyl]-2-oxoethyl]urea IUPAC Name: [2-[5-amino-4-methoxy-2-methyl-7-[3-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylmethoxyquinolin-6-yl]-2-oxoethyl]urea Traditional Name: [2-[5-amino-3-benzoxy-4-methoxy-2-methyl-7-[3-(4-methylpiperazine-1-carbonyl)phenyl]-6-quinolyl]-2-keto-ethyl]urea Formula: C33H36N6O5 MolecularWeight: 596.67614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(C(=C2)C3=CC(=CC=C3)C(=O)N4CCN(CC4)C)C(=O)CNC(=O)N)N)C(=C1OCC5=CC=CC=C5)OC

Isomeric SMILES

CC1=NC2=C(C(=C(C(=C2)C3=CC(=CC=C3)C(=O)N4CCN(CC4)C)C(=O)CNC(=O)N)N)C(=C1OCC5=CC=CC=C5)OC

InChI

InChI=1S/C33H36N6O5/c1-20-30(44-19-21-8-5-4-6-9-21)31(43-3)28-25(37-20)17-24(27(29(28)34)26(40)18-36-33(35)42)22-10-7-11-23(16-22)32(41)39-14-12-38(2)13-15-39/h4-11,16-17H,12-15,18-19,34H2,1-3H3,(H3,35,36,42)