5-methyl-3-[[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2-oxazole

Systemtic Name: 5-methyl-3-[[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]isoxazole CAS Name: 5-methyl-3-[[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]isoxazole Formula: C20H25N5O MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H25N5O/c1-16-12-19(23-26-16)15-25-9-5-8-24(10-11-25)14-18-13-21-22-20(18)17-6-3-2-4-7-17/h2-4,6-7,12-13H,5,8-11,14-15H2,1H3,(H,21,22)