N-tert-butyl-2-methyl-4-[8-methyl-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-2-methyl-4-[8-methyl-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]piperazine-1-carboxamide Openeye Name: N-tert-butyl-2-methyl-4-[8-methyl-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]piperazine-1-carboxamide CAS Name: N-tert-butyl-2-methyl-4-[8-methyl-3-(trifluoromethyl)-6-benzo[b][1,4]benzoxazepinyl]-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-2-methyl-4-[8-methyl-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]piperazine-1-carboxamide Traditional Name: N-tert-butyl-2-methyl-4-[8-methyl-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]piperazine-1-carboxamide Formula: C25H29F3N4O2 MolecularWeight: 474.51857

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)(C)C)C2=NC3=C(C=CC(=C3)C(F)(F)F)OC4=C2C=C(C=C4)C

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)(C)C)C2=NC3=C(C=CC(=C3)C(F)(F)F)OC4=C2C=C(C=C4)C

InChI

InChI=1S/C25H29F3N4O2/c1-15-6-8-20-18(12-15)22(29-19-13-17(25(26,27)28)7-9-21(19)34-20)31-10-11-32(16(2)14-31)23(33)30-24(3,4)5/h6-9,12-13,16H,10-11,14H2,1-5H3,(H,30,33)