1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-(3-pyridylmethyl)-1,4-diazepane Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4)CC5=CN=CC=C5

Isomeric SMILES

C1CN(CCN(C1)CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4)CC5=CN=CC=C5

InChI

InChI=1S/C22H25N5O2/c1-3-17(12-23-6-1)14-26-7-2-8-27(10-9-26)15-19-13-24-25-22(19)18-4-5-20-21(11-18)29-16-28-20/h1,3-6,11-13H,2,7-10,14-16H2,(H,24,25)