4-nitro-N-[(2S)-1-oxidanylidene-3-phenyl-1-piperazin-1-yl-propan-2-yl]benzamide

Systemtic Name: 4-nitro-N-[(2S)-1-oxidanylidene-3-phenyl-1-piperazin-1-yl-propan-2-yl]benzamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-2-piperazin-1-yl-ethyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[(2S)-1-oxo-3-phenyl-1-(1-piperazinyl)propan-2-yl]benzamide IUPAC Name: 4-nitro-N-[(2S)-1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl]benzamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-piperazino-ethyl]-4-nitro-benzamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c25-19(16-6-8-17(9-7-16)24(27)28)22-18(14-15-4-2-1-3-5-15)20(26)23-12-10-21-11-13-23/h1-9,18,21H,10-14H2,(H,22,25)/t18-/m0/s1