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

Systemtic Name: N-[6-[4-(2-oxidanyl-3-prop-2-enoxy-propyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-(3-allyloxy-2-hydroxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-(2-hydroxy-3-prop-2-enoxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-(2-hydroxy-3-prop-2-enoxypropyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-[4-(3-allyloxy-2-hydroxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]-piperonylamide Formula: C24H30N4O5 MolecularWeight: 454.5188

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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/C24H30N4O5/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/h2,4-7,13-14,20,29H,1,3,8-12,15-17H2,(H,26,30)