(5-methyl-1H-pyrazol-3-yl)-[7-(2-oxidanyl-4-pyrazol-1-yl-butan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: (5-methyl-1H-pyrazol-3-yl)-[7-(2-oxidanyl-4-pyrazol-1-yl-butan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: [7-(1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone CAS Name: [7-[2-hydroxy-4-(1-pyrazolyl)butan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone IUPAC Name: [7-(2-hydroxy-4-pyrazol-1-ylbutan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone Traditional Name: [7-(1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C(C)(CCN4C=CC=N4)O

Isomeric SMILES

CC1=CC(=NN1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C(C)(CCN4C=CC=N4)O

InChI

InChI=1S/C21H25N5O3/c1-15-12-18(24-23-15)20(27)25-10-11-29-19-5-4-17(13-16(19)14-25)21(2,28)6-9-26-8-3-7-22-26/h3-5,7-8,12-13,28H,6,9-11,14H2,1-2H3,(H,23,24)