[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-(1-phenyl-5-propyl-pyrazol-4-yl)methanone

Systemtic Name: [4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-(1-phenyl-5-propyl-pyrazol-4-yl)methanone Openeye Name: [4-[[5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-(1-phenyl-5-propyl-pyrazol-4-yl)methanone CAS Name: [4-[[5-(3,5-dimethyl-4-isoxazolyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-(1-phenyl-5-propyl-4-pyrazolyl)methanone IUPAC Name: [4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone Traditional Name: [4-[[5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-(1-phenyl-5-propyl-pyrazol-4-yl)methanone Formula: C26H31N7O3 MolecularWeight: 489.56944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=NOC(=N4)C5=C(ON=C5C)C

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=NOC(=N4)C5=C(ON=C5C)C

InChI

InChI=1S/C26H31N7O3/c1-4-9-22-21(16-27-33(22)20-10-6-5-7-11-20)26(34)32-13-8-12-31(14-15-32)17-23-28-25(36-30-23)24-18(2)29-35-19(24)3/h5-7,10-11,16H,4,8-9,12-15,17H2,1-3H3