1-[7-[(2S)-2-oxidanyl-4-pyrazol-1-yl-butan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[7-[(2S)-2-oxidanyl-4-pyrazol-1-yl-butan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[7-[(1S)-1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[7-[(2S)-2-hydroxy-4-(1-pyrazolyl)butan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[7-[(2S)-2-hydroxy-4-pyrazol-1-ylbutan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[7-[(1S)-1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenyl-prop-2-yn-1-one Formula: C25H25N3O3 MolecularWeight: 415.4843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)(C2=CC3=C(C=C2)OCCN(C3)C(=O)C#CC4=CC=CC=C4)O

Isomeric SMILES

C[C@](CCN1C=CC=N1)(C2=CC3=C(C=C2)OCCN(C3)C(=O)C#CC4=CC=CC=C4)O

InChI

InChI=1S/C25H25N3O3/c1-25(30,12-15-28-14-5-13-26-28)22-9-10-23-21(18-22)19-27(16-17-31-23)24(29)11-8-20-6-3-2-4-7-20/h2-7,9-10,13-14,18,30H,12,15-17,19H2,1H3/t25-/m0/s1