4-chloranyl-2-nitro-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzamide

Systemtic Name: 4-chloranyl-2-nitro-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-4-chloro-2-nitro-benzamide CAS Name: 4-chloro-2-nitro-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]benzamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-4-chloro-2-nitrobenzamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-4-chloro-2-nitro-benzamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3/c22-18-7-8-19(20(15-18)26(28)29)21(27)23-9-4-10-24-11-13-25(14-12-24)16-17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14,16H2,(H,23,27)