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

Systemtic Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-prop-2-enyl-urea Openeye Name: 1-allyl-3-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-prop-2-enylurea IUPAC Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-prop-2-enylurea Traditional Name: 1-allyl-3-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NCC=C)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NCC=C)OCC(C1=O)(C)C

InChI

InChI=1S/C20H29N3O3/c1-6-10-21-19(25)22-15-7-8-17-16(12-15)23(11-9-14(2)3)18(24)20(4,5)13-26-17/h6-8,12,14H,1,9-11,13H2,2-5H3,(H2,21,22,25)