(E)-N-[2-(4-azanyl-2-methyl-3-phenylmethoxy-quinolin-5-yl)-2-oxidanylidene-ethyl]-3-pyridin-3-yl-prop-2-enamide dihydrochloride

Systemtic Name: (E)-N-[2-(4-azanyl-2-methyl-3-phenylmethoxy-quinolin-5-yl)-2-oxidanylidene-ethyl]-3-pyridin-3-yl-prop-2-enamide dihydrochloride Openeye Name: (E)-N-[2-(4-amino-3-benzyloxy-2-methyl-5-quinolyl)-2-oxo-ethyl]-3-(3-pyridyl)prop-2-enamide dihydrochloride CAS Name: (E)-N-[2-(4-amino-2-methyl-3-phenylmethoxy-5-quinolinyl)-2-oxoethyl]-3-(3-pyridinyl)-2-propenamide dihydrochloride IUPAC Name: (E)-N-[2-(4-amino-2-methyl-3-phenylmethoxyquinolin-5-yl)-2-oxoethyl]-3-pyridin-3-ylprop-2-enamide dihydrochloride Traditional Name: (E)-N-[2-(4-amino-3-benzoxy-2-methyl-5-quinolyl)-2-keto-ethyl]-3-(3-pyridyl)acrylamide dihydrochloride Formula: C27H26Cl2N4O3 MolecularWeight: 525.42634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC(=C2C(=C1OCC3=CC=CC=C3)N)C(=O)CNC(=O)C=CC4=CN=CC=C4.Cl.Cl

Isomeric SMILES

CC1=NC2=CC=CC(=C2C(=C1OCC3=CC=CC=C3)N)C(=O)CNC(=O)/C=C/C4=CN=CC=C4.Cl.Cl

InChI

InChI=1S/C27H24N4O3.2ClH/c1-18-27(34-17-20-7-3-2-4-8-20)26(28)25-21(10-5-11-22(25)31-18)23(32)16-30-24(33)13-12-19-9-6-14-29-15-19;;/h2-15H,16-17H2,1H3,(H2,28,31)(H,30,33);2*1H/b13-12+;;