1-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-3-pentan-3-yl-urea

Systemtic Name: 1-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-3-pentan-3-yl-urea Openeye Name: 1-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-3-(1-ethylpropyl)urea CAS Name: 1-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-3-pentan-3-ylurea IUPAC Name: 1-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3-pentan-3-ylurea Traditional Name: 1-(1-ethylpropyl)-3-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)urea Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)NC1=CC2=C(C=C1)OC3=C(C=C(C=C3)C)N(C2=O)C

Isomeric SMILES

CCC(CC)NC(=O)NC1=CC2=C(C=C1)OC3=C(C=C(C=C3)C)N(C2=O)C

InChI

InChI=1S/C21H25N3O3/c1-5-14(6-2)22-21(26)23-15-8-10-18-16(12-15)20(25)24(4)17-11-13(3)7-9-19(17)27-18/h7-12,14H,5-6H2,1-4H3,(H2,22,23,26)