2-[4-(2-oxidanyl-3-pyrazol-1-yl-propyl)-1,4-diazepan-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(2-oxidanyl-3-pyrazol-1-yl-propyl)-1,4-diazepan-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(2-hydroxy-3-pyrazol-1-yl-propyl)-1,4-diazepan-1-yl]benzonitrile CAS Name: 2-[4-[2-hydroxy-3-(1-pyrazolyl)propyl]-1,4-diazepan-1-yl]benzonitrile IUPAC Name: 2-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)-1,4-diazepan-1-yl]benzonitrile Traditional Name: 2-[4-(2-hydroxy-3-pyrazol-1-yl-propyl)-1,4-diazepan-1-yl]benzonitrile Formula: C18H23N5O MolecularWeight: 325.40812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CC=CC=C2C#N)CC(CN3C=CC=N3)O

Isomeric SMILES

C1CN(CCN(C1)C2=CC=CC=C2C#N)CC(CN3C=CC=N3)O

InChI

InChI=1S/C18H23N5O/c19-13-16-5-1-2-6-18(16)22-9-4-8-21(11-12-22)14-17(24)15-23-10-3-7-20-23/h1-3,5-7,10,17,24H,4,8-9,11-12,14-15H2