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

Systemtic Name: (4-methylphenyl)-[4-[3-(2-methylpropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: [4-[3-(isobutylamino)-4-nitro-phenyl]piperazin-1-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[4-[3-(2-methylpropylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-methylphenyl)-[4-[3-(2-methylpropylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: [4-[3-(isobutylamino)-4-nitro-phenyl]piperazino]-(p-tolyl)methanone Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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