(3,4-dimethylphenyl)-[4-[3-(2-methylpropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (3,4-dimethylphenyl)-[4-[3-(2-methylpropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (3,4-dimethylphenyl)-[4-[3-(isobutylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (3,4-dimethylphenyl)-[4-[3-(2-methylpropylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (3,4-dimethylphenyl)-[4-[3-(2-methylpropylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (3,4-dimethylphenyl)-[4-[3-(isobutylamino)-4-nitro-phenyl]piperazino]methanone Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC(C)C)C

InChI

InChI=1S/C23H30N4O3/c1-16(2)15-24-21-14-20(7-8-22(21)27(29)30)25-9-11-26(12-10-25)23(28)19-6-5-17(3)18(4)13-19/h5-8,13-14,16,24H,9-12,15H2,1-4H3