(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[[2,4-bis(chloranyl)-3-[(1-methyl-2-propan-2-yl-benzimidazol-4-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]prop-2-enamide

Systemtic Name: (E)-3-(6-acetamidopyridin-3-yl)-N-[2-[[2,4-bis(chloranyl)-3-[(1-methyl-2-propan-2-yl-benzimidazol-4-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]prop-2-enamide Openeye Name: (E)-3-(6-acetamido-3-pyridyl)-N-[2-[2,4-dichloro-3-[(2-isopropyl-1-methyl-benzimidazol-4-yl)oxymethyl]-N-methyl-anilino]-2-oxo-ethyl]prop-2-enamide CAS Name: (E)-3-(6-acetamido-3-pyridinyl)-N-[2-[2,4-dichloro-N-methyl-3-[(1-methyl-2-propan-2-yl-4-benzimidazolyl)oxymethyl]anilino]-2-oxoethyl]-2-propenamide IUPAC Name: (E)-3-(6-acetamidopyridin-3-yl)-N-[2-[2,4-dichloro-N-methyl-3-[(1-methyl-2-propan-2-ylbenzimidazol-4-yl)oxymethyl]anilino]-2-oxoethyl]prop-2-enamide Traditional Name: (E)-3-(6-acetamido-3-pyridyl)-N-[2-[2,4-dichloro-3-[(2-isopropyl-1-methyl-benzimidazol-4-yl)oxymethyl]-N-methyl-anilino]-2-keto-ethyl]acrylamide Formula: C31H32Cl2N6O4 MolecularWeight: 623.52958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1C)C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)C=CC4=CN=C(C=C4)NC(=O)C)Cl

Isomeric SMILES

CC(C)C1=NC2=C(N1C)C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)/C=C/C4=CN=C(C=C4)NC(=O)C)Cl

InChI

InChI=1S/C31H32Cl2N6O4/c1-18(2)31-37-30-24(39(31)5)7-6-8-25(30)43-17-21-22(32)11-12-23(29(21)33)38(4)28(42)16-35-27(41)14-10-20-9-13-26(34-15-20)36-19(3)40/h6-15,18H,16-17H2,1-5H3,(H,35,41)(H,34,36,40)/b14-10+