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

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3-(naphthalen-1-ylmethyl)urea Openeye Name: 1-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(1-naphthylmethyl)urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3-(1-naphthalenylmethyl)urea IUPAC Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3-(naphthalen-1-ylmethyl)urea Traditional Name: 1-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-(1-naphthylmethyl)urea Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)NCC3=CC=CC4=CC=CC=C43)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)NCC3=CC=CC4=CC=CC=C43)N(C1=O)CC=C)C

InChI

InChI=1S/C26H27N3O3/c1-4-14-29-22-15-20(12-13-23(22)32-17-26(2,3)24(29)30)28-25(31)27-16-19-10-7-9-18-8-5-6-11-21(18)19/h4-13,15H,1,14,16-17H2,2-3H3,(H2,27,28,31)