1-[(2S,3R)-5-[2-(3,3-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[(2S,3R)-5-[2-(3,3-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[(2S,3R)-5-[2-(3,3-dimethyl-1-piperidyl)-2-oxo-ethyl]-2-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[(2S,3R)-5-[2-(3,3-dimethyl-1-piperidinyl)-2-oxoethyl]-2-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[(2S,3R)-5-[2-(3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[(2S,3R)-5-[2-(3,3-dimethylpiperidino)-2-keto-ethyl]-4-keto-2-methyl-2,3-dihydro-1,5-benzoxazepin-3-yl]-3-(m-tolyl)urea Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CCCC(C3)(C)C)NC(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

C[C@H]1[C@H](C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CCCC(C3)(C)C)NC(=O)NC4=CC=CC(=C4)C

InChI

InChI=1S/C27H34N4O4/c1-18-9-7-10-20(15-18)28-26(34)29-24-19(2)35-22-12-6-5-11-21(22)31(25(24)33)16-23(32)30-14-8-13-27(3,4)17-30/h5-7,9-12,15,19,24H,8,13-14,16-17H2,1-4H3,(H2,28,29,34)/t19-,24+/m0/s1