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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)urea Openeye Name: 1-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-[(4-chlorophenyl)methyl]urea CAS Name: 1-[(4-chlorophenyl)methyl]-3-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-[(4-chlorophenyl)methyl]-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-(4-chlorobenzyl)urea Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)Cl)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)Cl)N(C1=O)CC=C)C

InChI

InChI=1S/C22H24ClN3O3/c1-4-11-26-18-12-17(9-10-19(18)29-14-22(2,3)20(26)27)25-21(28)24-13-15-5-7-16(23)8-6-15/h4-10,12H,1,11,13-14H2,2-3H3,(H2,24,25,28)