4-(1,3-benzodioxol-5-ylmethyl)-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]piperazine-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]piperazine-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[2-[(5-nitro-2-pyridyl)amino]ethyl]piperazine-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]piperazine-1-carboxamide Traditional Name: N-[2-[(5-nitro-2-pyridyl)amino]ethyl]-4-piperonyl-piperazine-1-carboxamide Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O5/c27-20(22-6-5-21-19-4-2-16(12-23-19)26(28)29)25-9-7-24(8-10-25)13-15-1-3-17-18(11-15)31-14-30-17/h1-4,11-12H,5-10,13-14H2,(H,21,23)(H,22,27)