(3S)-3-ethyl-4-[[4-(2-ethylbutyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-2-one

Systemtic Name: (3S)-3-ethyl-4-[[4-(2-ethylbutyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-2-one Openeye Name: (3S)-3-ethyl-4-[[4-(2-ethylbutyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-2-one CAS Name: (3S)-3-ethyl-4-[[4-(2-ethylbutyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-piperazinone IUPAC Name: (3S)-3-ethyl-4-[[4-(2-ethylbutyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-2-one Traditional Name: (3S)-3-ethyl-4-[[4-(2-ethylbutyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-2-one Formula: C22H35N3O2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NCCN1CC2=CC3=C(C=C2)OCCN(C3)CC(CC)CC

Isomeric SMILES

CC[C@H]1C(=O)NCCN1CC2=CC3=C(C=C2)OCCN(C3)CC(CC)CC

InChI

InChI=1S/C22H35N3O2/c1-4-17(5-2)14-24-11-12-27-21-8-7-18(13-19(21)16-24)15-25-10-9-23-22(26)20(25)6-3/h7-8,13,17,20H,4-6,9-12,14-16H2,1-3H3,(H,23,26)/t20-/m0/s1