3-methyl-1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-3-methyl-butan-1-one Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-17(2)14-22(27)25-12-10-24(11-13-25)19-8-9-21(26(28)29)20(15-19)23-16-18-6-4-3-5-7-18/h3-9,15,17,23H,10-14,16H2,1-2H3