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

Systemtic Name: [4-[3-(2-methylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[3-(isobutylamino)-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[3-(2-methylpropylamino)-4-nitrophenyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[3-(2-methylpropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[3-(isobutylamino)-4-nitro-phenyl]piperazino]-phenyl-methanone Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c1-16(2)15-22-19-14-18(8-9-20(19)25(27)28)23-10-12-24(13-11-23)21(26)17-6-4-3-5-7-17/h3-9,14,16,22H,10-13,15H2,1-2H3