3-nitro-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzamide

Systemtic Name: 3-nitro-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]benzamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-3-nitrobenzamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-3-nitro-benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3/c26-21(19-8-4-9-20(16-19)25(27)28)22-10-5-11-23-12-14-24(15-13-23)17-18-6-2-1-3-7-18/h1-4,6-9,16H,5,10-15,17H2,(H,22,26)