4-nitro-N-[4-(1-oxidanylidene-1-piperazin-1-yl-propan-2-yl)phenyl]benzamide

Systemtic Name: 4-nitro-N-[4-(1-oxidanylidene-1-piperazin-1-yl-propan-2-yl)phenyl]benzamide Openeye Name: N-[4-(1-methyl-2-oxo-2-piperazin-1-yl-ethyl)phenyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[4-[1-oxo-1-(1-piperazinyl)propan-2-yl]phenyl]benzamide IUPAC Name: 4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide Traditional Name: N-[4-(2-keto-1-methyl-2-piperazino-ethyl)phenyl]-4-nitro-benzamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCNCC3

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCNCC3

InChI

InChI=1S/C20H22N4O4/c1-14(20(26)23-12-10-21-11-13-23)15-2-6-17(7-3-15)22-19(25)16-4-8-18(9-5-16)24(27)28/h2-9,14,21H,10-13H2,1H3,(H,22,25)