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

Systemtic Name: N-[6-[4-(phenylcarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-(4-benzoyl-1,4-diazepan-1-yl)pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridyl]-piperonylamide Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=NC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=NC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24N4O4/c30-24(19-7-9-21-22(15-19)33-17-32-21)27-20-8-10-23(26-16-20)28-11-4-12-29(14-13-28)25(31)18-5-2-1-3-6-18/h1-3,5-10,15-16H,4,11-14,17H2,(H,27,30)