2,2-dimethyl-1-[4-[4-nitro-3-[4-(phenylmethyl)piperazin-1-yl]phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[4-[4-nitro-3-[4-(phenylmethyl)piperazin-1-yl]phenyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[3-(4-benzylpiperazin-1-yl)-4-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 2,2-dimethyl-1-[4-[4-nitro-3-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[3-(4-benzylpiperazin-1-yl)-4-nitrophenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-[3-(4-benzylpiperazino)-4-nitro-phenyl]piperazino]-2,2-dimethyl-propan-1-one Formula: C26H35N5O3 MolecularWeight: 465.5878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H35N5O3/c1-26(2,3)25(32)30-17-15-28(16-18-30)22-9-10-23(31(33)34)24(19-22)29-13-11-27(12-14-29)20-21-7-5-4-6-8-21/h4-10,19H,11-18,20H2,1-3H3