1-(3-methylphenyl)-3-[6-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)pyridin-3-yl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[6-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)pyridin-3-yl]urea Openeye Name: 1-(m-tolyl)-3-[6-(1-oxoisoindolin-4-yl)-3-pyridyl]urea CAS Name: 1-(3-methylphenyl)-3-[6-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[6-(1-oxo-2,3-dihydroisoindol-4-yl)pyridin-3-yl]urea Traditional Name: 1-[6-(1-ketoisoindolin-4-yl)-3-pyridyl]-3-(m-tolyl)urea Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=CN=C(C=C2)C3=C4CNC(=O)C4=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=CN=C(C=C2)C3=C4CNC(=O)C4=CC=C3

InChI

InChI=1S/C21H18N4O2/c1-13-4-2-5-14(10-13)24-21(27)25-15-8-9-19(22-11-15)16-6-3-7-17-18(16)12-23-20(17)26/h2-11H,12H2,1H3,(H,23,26)(H2,24,25,27)