1-[2-methyl-3-oxidanylidene-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-3-(4-propan-2-ylphenyl)urea

Systemtic Name: 1-[2-methyl-3-oxidanylidene-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-3-(4-propan-2-ylphenyl)urea Openeye Name: 1-(4-benzyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-(4-isopropylphenyl)urea CAS Name: 1-[2-methyl-3-oxo-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-3-(4-propan-2-ylphenyl)urea IUPAC Name: 1-(4-benzyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-(4-propan-2-ylphenyl)urea Traditional Name: 1-(4-benzyl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)-3-p-cumenyl-urea Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(C)C)CC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-18(2)21-9-11-23(12-10-21)28-27(32)29-24-13-14-25-22(15-24)17-30(26(31)19(3)33-25)16-20-7-5-4-6-8-20/h4-15,18-19H,16-17H2,1-3H3,(H2,28,29,32)