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

Systemtic Name: 1-[2-[4-azanyl-2-methyl-3-phenylmethoxy-6-(3-pyrrolidin-1-ylcarbonylphenyl)quinolin-5-yl]-2-oxidanylidene-ethyl]urea hydrochloride Openeye Name: [2-[4-amino-3-benzyloxy-2-methyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]-5-quinolyl]-2-oxo-ethyl]urea hydrochloride CAS Name: [2-[4-amino-2-methyl-6-[3-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-phenylmethoxy-5-quinolinyl]-2-oxoethyl]urea hydrochloride IUPAC Name: [2-[4-amino-2-methyl-3-phenylmethoxy-6-[3-(pyrrolidine-1-carbonyl)phenyl]quinolin-5-yl]-2-oxoethyl]urea hydrochloride Traditional Name: [2-[4-amino-3-benzoxy-2-methyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]-5-quinolyl]-2-keto-ethyl]urea hydrochloride Formula: C31H32ClN5O4 MolecularWeight: 574.06988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(C=C2)C3=CC(=CC=C3)C(=O)N4CCCC4)C(=O)CNC(=O)N)C(=C1OCC5=CC=CC=C5)N.Cl

Isomeric SMILES

CC1=NC2=C(C(=C(C=C2)C3=CC(=CC=C3)C(=O)N4CCCC4)C(=O)CNC(=O)N)C(=C1OCC5=CC=CC=C5)N.Cl

InChI

InChI=1S/C31H31N5O4.ClH/c1-19-29(40-18-20-8-3-2-4-9-20)28(32)27-24(35-19)13-12-23(26(27)25(37)17-34-31(33)39)21-10-7-11-22(16-21)30(38)36-14-5-6-15-36;/h2-4,7-13,16H,5-6,14-15,17-18H2,1H3,(H2,32,35)(H3,33,34,39);1H