(3Z)-3-(6-isocyano-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-oxidanyl-3-pyridin-3-yl-propan-2-yl)amino]pyridin-2-one

Systemtic Name: (3Z)-3-(6-isocyano-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-oxidanyl-3-pyridin-3-yl-propan-2-yl)amino]pyridin-2-one Openeye Name: (3Z)-4-[[1-(hydroxymethyl)-2-(3-pyridyl)ethyl]amino]-3-(6-isocyano-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)pyridin-2-one CAS Name: (3Z)-4-[[1-hydroxy-3-(3-pyridinyl)propan-2-yl]amino]-3-(6-isocyano-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-pyridinone IUPAC Name: (3Z)-4-[(1-hydroxy-3-pyridin-3-ylpropan-2-yl)amino]-3-(6-isocyano-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)pyridin-2-one Traditional Name: (3Z)-3-(6-isocyano-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-4-[[1-methylol-2-(3-pyridyl)ethyl]amino]-2-pyridone Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)NC(CC4=CN=CC=C4)CO)N2)[N+]#[C-]

Isomeric SMILES

CC1=CC(=CC2=C1N/C(=C\3/C(=CC=NC3=O)NC(CC4=CN=CC=C4)CO)/N2)[N+]#[C-]

InChI

InChI=1S/C22H20N6O2/c1-13-8-15(23-2)10-18-20(13)28-21(27-18)19-17(5-7-25-22(19)30)26-16(12-29)9-14-4-3-6-24-11-14/h3-8,10-11,16,26-29H,9,12H2,1H3/b21-19-