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

Systemtic Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-(naphthalen-1-ylmethyl)urea Openeye Name: 1-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(1-naphthylmethyl)urea CAS Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-(1-naphthalenylmethyl)urea IUPAC Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-(naphthalen-1-ylmethyl)urea Traditional Name: 1-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-(1-naphthylmethyl)urea Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CC4=CC=CC=C43)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CC4=CC=CC=C43)OCC(C1=O)(C)C

InChI

InChI=1S/C28H33N3O3/c1-19(2)14-15-31-24-16-22(12-13-25(24)34-18-28(3,4)26(31)32)30-27(33)29-17-21-10-7-9-20-8-5-6-11-23(20)21/h5-13,16,19H,14-15,17-18H2,1-4H3,(H2,29,30,33)