N-[2-[4-azanyl-2-methyl-3-phenylmethoxy-6-(6-pyrrolidin-1-ylcarbonylpyridin-3-yl)quinolin-5-yl]-2-oxidanylidene-ethyl]prop-2-enamide dihydrochloride

Systemtic Name: N-[2-[4-azanyl-2-methyl-3-phenylmethoxy-6-(6-pyrrolidin-1-ylcarbonylpyridin-3-yl)quinolin-5-yl]-2-oxidanylidene-ethyl]prop-2-enamide dihydrochloride Openeye Name: N-[2-[4-amino-3-benzyloxy-2-methyl-6-[6-(pyrrolidine-1-carbonyl)-3-pyridyl]-5-quinolyl]-2-oxo-ethyl]prop-2-enamide dihydrochloride CAS Name: N-[2-[4-amino-2-methyl-6-[6-[oxo(1-pyrrolidinyl)methyl]-3-pyridinyl]-3-phenylmethoxy-5-quinolinyl]-2-oxoethyl]-2-propenamide dihydrochloride IUPAC Name: N-[2-[4-amino-2-methyl-3-phenylmethoxy-6-[6-(pyrrolidine-1-carbonyl)pyridin-3-yl]quinolin-5-yl]-2-oxoethyl]prop-2-enamide dihydrochloride Traditional Name: N-[2-[4-amino-3-benzoxy-2-methyl-6-[6-(pyrrolidine-1-carbonyl)-3-pyridyl]-5-quinolyl]-2-keto-ethyl]acrylamide dihydrochloride Formula: C32H33Cl2N5O4 MolecularWeight: 622.54152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H31N5O4.2ClH/c1-3-27(39)35-18-26(38)28-23(22-11-13-25(34-17-22)32(40)37-15-7-8-16-37)12-14-24-29(28)30(33)31(20(2)36-24)41-19-21-9-5-4-6-10-21;;/h3-6,9-14,17H,1,7-8,15-16,18-19H2,2H3,(H2,33,36)(H,35,39);2*1H