N-methyl-4-[(E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)prop-2-enoyl]-N-pyridin-2-yl-piperazine-2-carboxamide

Systemtic Name: N-methyl-4-[(E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)prop-2-enoyl]-N-pyridin-2-yl-piperazine-2-carboxamide Openeye Name: N-methyl-4-[(E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)prop-2-enoyl]-N-(2-pyridyl)piperazine-2-carboxamide CAS Name: N-methyl-4-[(E)-3-(5-nitro-1-cyclohexa-1,5-dienyl)-1-oxoprop-2-enyl]-N-(2-pyridinyl)-2-piperazinecarboxamide IUPAC Name: N-methyl-4-[(E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)prop-2-enoyl]-N-pyridin-2-ylpiperazine-2-carboxamide Traditional Name: N-methyl-4-[(E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)acryloyl]-N-(2-pyridyl)piperazine-2-carboxamide Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=N1)C(=O)C2CN(CCN2)C(=O)C=CC3=CCCC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=N1)C(=O)C2CN(CCN2)C(=O)/C=C/C3=CCCC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4/c1-23(18-7-2-3-10-22-18)20(27)17-14-24(12-11-21-17)19(26)9-8-15-5-4-6-16(13-15)25(28)29/h2-3,5,7-10,13,17,21H,4,6,11-12,14H2,1H3/b9-8+