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

Systemtic Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-(naphthalen-1-ylmethyl)urea Openeye Name: 1-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(1-naphthylmethyl)urea CAS Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-(1-naphthalenylmethyl)urea IUPAC Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-(naphthalen-1-ylmethyl)urea Traditional Name: 1-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-(1-naphthylmethyl)urea Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CC4=CC=CC=C43)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CC4=CC=CC=C43)OCC(C1=O)(C)C

InChI

InChI=1S/C27H31N3O3/c1-18(2)16-30-23-14-21(12-13-24(23)33-17-27(3,4)25(30)31)29-26(32)28-15-20-10-7-9-19-8-5-6-11-22(19)20/h5-14,18H,15-17H2,1-4H3,(H2,28,29,32)