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

Systemtic Name: N-[6-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-[4-(4-nitrobenzyl)-1,4-diazepan-1-yl]-3-pyridyl]-piperonylamide Formula: C25H25N5O5 MolecularWeight: 475.4965

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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=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O5/c31-25(19-4-8-22-23(14-19)35-17-34-22)27-20-5-9-24(26-15-20)29-11-1-10-28(12-13-29)16-18-2-6-21(7-3-18)30(32)33/h2-9,14-15H,1,10-13,16-17H2,(H,27,31)