1-[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]-4-phenyl-azepane

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]-4-phenyl-azepane Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]-4-phenyl-azepane CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]-4-phenylazepane IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]-4-phenylazepane Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]-4-phenyl-azepane Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C2=NC(=CN=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CC(CCN(C1)C2=NC(=CN=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H22N4O2/c1-2-5-16(6-3-1)17-7-4-11-26(12-10-17)22-24-19(14-23-25-22)18-8-9-20-21(13-18)28-15-27-20/h1-3,5-6,8-9,13-14,17H,4,7,10-12,15H2