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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)NC2COC3=CC=CC=C3N(C2=O)CC(=O)N4CCCC(C4)(C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N[C@@H]2COC3=CC=CC=C3N(C2=O)CC(=O)N4CCCC(C4)(C)C

InChI

InChI=1S/C27H34N4O4/c1-4-19-9-7-10-20(15-19)28-26(34)29-21-17-35-23-12-6-5-11-22(23)31(25(21)33)16-24(32)30-14-8-13-27(2,3)18-30/h5-7,9-12,15,21H,4,8,13-14,16-18H2,1-3H3,(H2,28,29,34)/t21-/m1/s1