4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1CC3=C(NN=C3)C4=CC=CC=C4)C=C(C=C2O)C5=CC=CS5

Isomeric SMILES

C1COC2=C(CN1CC3=C(NN=C3)C4=CC=CC=C4)C=C(C=C2O)C5=CC=CS5

InChI

InChI=1S/C23H21N3O2S/c27-20-12-17(21-7-4-10-29-21)11-18-14-26(8-9-28-23(18)20)15-19-13-24-25-22(19)16-5-2-1-3-6-16/h1-7,10-13,27H,8-9,14-15H2,(H,24,25)