N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-(2-furylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-[4-(2-furfuryl)-1,4-diazepan-1-yl]-3-pyridyl]-piperonylamide Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CO5

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CO5

InChI

InChI=1S/C23H24N4O4/c28-23(17-4-6-20-21(13-17)31-16-30-20)25-18-5-7-22(24-14-18)27-9-2-8-26(10-11-27)15-19-3-1-12-29-19/h1,3-7,12-14H,2,8-11,15-16H2,(H,25,28)