N-[4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonylphenyl]benzamide

Systemtic Name: N-[4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonylphenyl]benzamide Openeye Name: N-[4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]phenyl]benzamide CAS Name: N-[4-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]phenyl]benzamide IUPAC Name: N-[4-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]phenyl]benzamide Traditional Name: N-[4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]phenyl]benzamide Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O4/c29-22(17-4-2-1-3-5-17)25-19-8-6-18(7-9-19)23(30)27-14-12-26(13-15-27)20-10-11-21(24-16-20)28(31)32/h1-11,16H,12-15H2,(H,25,29)