1-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(2-methylphenyl)urea

Systemtic Name: 1-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(2-methylphenyl)urea Openeye Name: 1-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(o-tolyl)urea CAS Name: 1-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(2-methylphenyl)urea IUPAC Name: 1-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(2-methylphenyl)urea Traditional Name: 1-(3-chloro-6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(o-tolyl)urea Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

InChI

InChI=1S/C21H16ClN3O3/c1-12-4-2-3-5-16(12)25-21(27)23-14-7-9-18-15(11-14)20(26)24-17-10-13(22)6-8-19(17)28-18/h2-11H,1H3,(H,24,26)(H2,23,25,27)