N,N-dimethyl-4-[2-(3-nitrophenyl)prop-2-enoyl]-1-pyridin-4-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: N,N-dimethyl-4-[2-(3-nitrophenyl)prop-2-enoyl]-1-pyridin-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: N,N-dimethyl-4-[2-(3-nitrophenyl)prop-2-enoyl]-1-(pyridine-4-carbonyl)piperazine-2-carboxamide CAS Name: N,N-dimethyl-4-[2-(3-nitrophenyl)-1-oxoprop-2-enyl]-1-[oxo(pyridin-4-yl)methyl]-2-piperazinecarboxamide IUPAC Name: N,N-dimethyl-4-[2-(3-nitrophenyl)prop-2-enoyl]-1-(pyridine-4-carbonyl)piperazine-2-carboxamide Traditional Name: 1-isonicotinoyl-N,N-dimethyl-4-[2-(3-nitrophenyl)acryloyl]piperazine-2-carboxamide Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CN(CCN1C(=O)C2=CC=NC=C2)C(=O)C(=C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C1CN(CCN1C(=O)C2=CC=NC=C2)C(=O)C(=C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5/c1-15(17-5-4-6-18(13-17)27(31)32)20(28)25-11-12-26(19(14-25)22(30)24(2)3)21(29)16-7-9-23-10-8-16/h4-10,13,19H,1,11-12,14H2,2-3H3