4-nitro-N-[3-oxidanylidene-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide

Systemtic Name: 4-nitro-N-[3-oxidanylidene-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide Openeye Name: 4-nitro-N-[3-oxo-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide CAS Name: 4-nitro-N-[3-oxo-3-[[2-(1-pyrazolylmethyl)phenyl]methylamino]propyl]benzamide IUPAC Name: 4-nitro-N-[3-oxo-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide Traditional Name: N-[3-keto-3-[[2-(pyrazol-1-ylmethyl)benzyl]amino]propyl]-4-nitro-benzamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CN3C=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CN3C=CC=N3

InChI

InChI=1S/C21H21N5O4/c27-20(10-12-22-21(28)16-6-8-19(9-7-16)26(29)30)23-14-17-4-1-2-5-18(17)15-25-13-3-11-24-25/h1-9,11,13H,10,12,14-15H2,(H,22,28)(H,23,27)