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

Systemtic Name: 2,2-dimethyl-1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 2,2-dimethyl-1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-2,2-dimethyl-propan-1-one Formula: C22H28N4O3 MolecularWeight: 396.48272

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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-])NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-22(2,3)21(27)25-13-11-24(12-14-25)18-9-10-20(26(28)29)19(15-18)23-16-17-7-5-4-6-8-17/h4-10,15,23H,11-14,16H2,1-3H3