4-[[7-(cyclohexen-1-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[7-(cyclohexen-1-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[7-(cyclohexen-1-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[7-(1-cyclohexenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[7-(cyclohexen-1-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[7-(cyclohexen-1-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C27H31N3O2 MolecularWeight: 429.55394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCOC4=C(C3)C=C(C=C4)C5=CCCCC5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCOC4=C(C3)C=C(C=C4)C5=CCCCC5

InChI

InChI=1S/C27H31N3O2/c1-20-25(27(31)30(28(20)2)24-11-7-4-8-12-24)19-29-15-16-32-26-14-13-22(17-23(26)18-29)21-9-5-3-6-10-21/h4,7-9,11-14,17H,3,5-6,10,15-16,18-19H2,1-2H3