N-[6-[4-(2-oxidanyl-3-prop-2-ynoxy-propyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[6-[4-(2-oxidanyl-3-prop-2-ynoxy-propyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-(2-hydroxy-3-prop-2-ynoxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-(2-hydroxy-3-prop-2-ynoxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-(2-hydroxy-3-prop-2-ynoxypropyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-[4-(2-hydroxy-3-propargyloxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]-piperonylamide Formula: C24H28N4O5 MolecularWeight: 452.50292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOCC(CN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C#CCOCC(CN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C24H28N4O5/c1-2-12-31-16-20(29)15-27-8-3-9-28(11-10-27)23-7-5-19(14-25-23)26-24(30)18-4-6-21-22(13-18)33-17-32-21/h1,4-7,13-14,20,29H,3,8-12,15-17H2,(H,26,30)