1-[2-[4-azanyl-2-methyl-3-phenylmethoxy-6-(3-piperazin-1-ylcarbonylphenyl)quinolin-5-yl]-2-oxidanylidene-ethyl]urea dihydrochloride

Systemtic Name: 1-[2-[4-azanyl-2-methyl-3-phenylmethoxy-6-(3-piperazin-1-ylcarbonylphenyl)quinolin-5-yl]-2-oxidanylidene-ethyl]urea dihydrochloride Openeye Name: [2-[4-amino-3-benzyloxy-2-methyl-6-[3-(piperazine-1-carbonyl)phenyl]-5-quinolyl]-2-oxo-ethyl]urea dihydrochloride CAS Name: [2-[4-amino-2-methyl-6-[3-[oxo(1-piperazinyl)methyl]phenyl]-3-phenylmethoxy-5-quinolinyl]-2-oxoethyl]urea dihydrochloride IUPAC Name: [2-[4-amino-2-methyl-3-phenylmethoxy-6-[3-(piperazine-1-carbonyl)phenyl]quinolin-5-yl]-2-oxoethyl]urea dihydrochloride Traditional Name: [2-[4-amino-3-benzoxy-2-methyl-6-[3-(piperazine-1-carbonyl)phenyl]-5-quinolyl]-2-keto-ethyl]urea dihydrochloride Formula: C31H34Cl2N6O4 MolecularWeight: 625.54546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(C=C2)C3=CC(=CC=C3)C(=O)N4CCNCC4)C(=O)CNC(=O)N)C(=C1OCC5=CC=CC=C5)N.Cl.Cl

Isomeric SMILES

CC1=NC2=C(C(=C(C=C2)C3=CC(=CC=C3)C(=O)N4CCNCC4)C(=O)CNC(=O)N)C(=C1OCC5=CC=CC=C5)N.Cl.Cl

InChI

InChI=1S/C31H32N6O4.2ClH/c1-19-29(41-18-20-6-3-2-4-7-20)28(32)27-24(36-19)11-10-23(26(27)25(38)17-35-31(33)40)21-8-5-9-22(16-21)30(39)37-14-12-34-13-15-37;;/h2-11,16,34H,12-15,17-18H2,1H3,(H2,32,36)(H3,33,35,40);2*1H