2-[4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-propan-2-ol

Systemtic Name: 2-[4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-propan-2-ol Openeye Name: 2-[4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-propan-2-ol CAS Name: 2-[4-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-2-propanol IUPAC Name: 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxypropan-2-ol Traditional Name: 2-[4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-propan-2-ol Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CN2CCOC3=C(C2)C=C(C=C3)C(C)(COC4=CC=CC=C4)O)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CN2CCOC3=C(C2)C=C(C=C3)C(C)(COC4=CC=CC=C4)O)C

InChI

InChI=1S/C26H33N3O3/c1-5-29-20(3)24(19(2)27-29)17-28-13-14-31-25-12-11-22(15-21(25)16-28)26(4,30)18-32-23-9-7-6-8-10-23/h6-12,15,30H,5,13-14,16-18H2,1-4H3