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

Systemtic Name: 1-(2-nitro-5-pyrrolidin-1-yl-phenyl)-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(2-nitro-5-pyrrolidin-1-yl-phenyl)piperazine CAS Name: 1-[2-nitro-5-(1-pyrrolidinyl)phenyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(2-nitro-5-pyrrolidin-1-ylphenyl)piperazine Traditional Name: 1-benzyl-4-(2-nitro-5-pyrrolidino-phenyl)piperazine Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N4O2/c26-25(27)20-9-8-19(23-10-4-5-11-23)16-21(20)24-14-12-22(13-15-24)17-18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2