3-phenyl-1-[4-(1H-pyrazol-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propan-1-ol

Systemtic Name: 3-phenyl-1-[4-(1H-pyrazol-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propan-1-ol Openeye Name: 3-phenyl-1-[4-(1H-pyrazol-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propan-1-ol CAS Name: 3-phenyl-1-[4-(1H-pyrazol-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-propanol IUPAC Name: 3-phenyl-1-[4-(1H-pyrazol-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propan-1-ol Traditional Name: 3-phenyl-1-[4-(1H-pyrazol-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propan-1-ol Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1CC3=CNN=C3)C=C(C=C2)C(CCC4=CC=CC=C4)O

Isomeric SMILES

C1COC2=C(CN1CC3=CNN=C3)C=C(C=C2)C(CCC4=CC=CC=C4)O

InChI

InChI=1S/C22H25N3O2/c26-21(8-6-17-4-2-1-3-5-17)19-7-9-22-20(12-19)16-25(10-11-27-22)15-18-13-23-24-14-18/h1-5,7,9,12-14,21,26H,6,8,10-11,15-16H2,(H,23,24)