ethyl N-[2-chloranyl-4-[2-[[(3E)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-pyridin-4-yl]amino]-1-oxidanyl-ethyl]phenyl]carbamate

Systemtic Name: ethyl N-[2-chloranyl-4-[2-[[(3E)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-pyridin-4-yl]amino]-1-oxidanyl-ethyl]phenyl]carbamate Openeye Name: ethyl N-[2-chloro-4-[1-hydroxy-2-[[(3E)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-4-pyridyl]amino]ethyl]phenyl]carbamate CAS Name: N-[2-chloro-4-[1-hydroxy-2-[[(3E)-3-[6-(1-imidazolyl)-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]-2-oxo-4-pyridinyl]amino]ethyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-chloro-4-[1-hydroxy-2-[[(3E)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxopyridin-4-yl]amino]ethyl]phenyl]carbamate Traditional Name: N-[2-chloro-4-[1-hydroxy-2-[[(3E)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-keto-4-pyridyl]amino]ethyl]phenyl]carbamic acid ethyl ester Formula: C27H26ClN7O4 MolecularWeight: 547.99284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C(C=C(C=C1)C(CNC2=CC=NC(=O)C2=C3NC4=C(N3)C(=CC(=C4)N5C=CN=C5)C)O)Cl

Isomeric SMILES

CCOC(=O)NC1=C(C=C(C=C1)C(CNC\2=CC=NC(=O)/C2=C/3\NC4=C(N3)C(=CC(=C4)N5C=CN=C5)C)O)Cl

InChI

InChI=1S/C27H26ClN7O4/c1-3-39-27(38)33-19-5-4-16(11-18(19)28)22(36)13-31-20-6-7-30-26(37)23(20)25-32-21-12-17(35-9-8-29-14-35)10-15(2)24(21)34-25/h4-12,14,22,31-32,34,36H,3,13H2,1-2H3,(H,33,38)/b25-23+