1-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3-(diphenylmethyl)urea

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3-(diphenylmethyl)urea Openeye Name: 1-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-benzhydryl-urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3-(diphenylmethyl)urea IUPAC Name: 1-benzhydryl-3-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-benzhydryl-urea Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)N(C1=O)CC=C)C

InChI

InChI=1S/C28H29N3O3/c1-4-17-31-23-18-22(15-16-24(23)34-19-28(2,3)26(31)32)29-27(33)30-25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h4-16,18,25H,1,17,19H2,2-3H3,(H2,29,30,33)