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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O4/c1-23(17-6-3-9-21-13-17)20(27)18-14-24(11-10-22-18)19(26)8-7-15-4-2-5-16(12-15)25(28)29/h3-4,6-9,12-13,18,22H,2,5,10-11,14H2,1H3/b8-7+