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

Systemtic Name: 3-[2-[[(3E)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-pyridin-4-yl]amino]-1-oxidanyl-ethyl]benzenecarbonitrile Openeye Name: 3-[1-hydroxy-2-[[(3E)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-4-pyridyl]amino]ethyl]benzonitrile CAS Name: 3-[1-hydroxy-2-[[(3E)-3-[6-(1-imidazolyl)-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]-2-oxo-4-pyridinyl]amino]ethyl]benzonitrile IUPAC Name: 3-[1-hydroxy-2-[[(3E)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxopyridin-4-yl]amino]ethyl]benzonitrile Traditional Name: 3-[1-hydroxy-2-[[(3E)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-keto-4-pyridyl]amino]ethyl]benzonitrile Formula: C25H21N7O2 MolecularWeight: 451.47994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)NCC(C4=CC=CC(=C4)C#N)O)N2)N5C=CN=C5

Isomeric SMILES

CC1=CC(=CC2=C1N/C(=C/3\C(=CC=NC3=O)NCC(C4=CC=CC(=C4)C#N)O)/N2)N5C=CN=C5

InChI

InChI=1S/C25H21N7O2/c1-15-9-18(32-8-7-27-14-32)11-20-23(15)31-24(30-20)22-19(5-6-28-25(22)34)29-13-21(33)17-4-2-3-16(10-17)12-26/h2-11,14,21,29-31,33H,13H2,1H3/b24-22+