1-(2-nitro-5-piperazin-1-yl-phenyl)-4-(phenylmethyl)piperazine

Systemtic Name: 1-(2-nitro-5-piperazin-1-yl-phenyl)-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(2-nitro-5-piperazin-1-yl-phenyl)piperazine CAS Name: 1-[2-nitro-5-(1-piperazinyl)phenyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(2-nitro-5-piperazin-1-ylphenyl)piperazine Traditional Name: 1-benzyl-4-(2-nitro-5-piperazino-phenyl)piperazine Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O2/c27-26(28)20-7-6-19(24-10-8-22-9-11-24)16-21(20)25-14-12-23(13-15-25)17-18-4-2-1-3-5-18/h1-7,16,22H,8-15,17H2