(2-bromophenyl)-[4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]methanone

Systemtic Name: (2-bromophenyl)-[4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]methanone Openeye Name: (2-bromophenyl)-[4-[3-(isopropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (2-bromophenyl)-[4-[4-nitro-3-(propan-2-ylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-bromophenyl)-[4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]methanone Traditional Name: (2-bromophenyl)-[4-[3-(isopropylamino)-4-nitro-phenyl]piperazino]methanone Formula: C20H23BrN4O3 MolecularWeight: 447.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C20H23BrN4O3/c1-14(2)22-18-13-15(7-8-19(18)25(27)28)23-9-11-24(12-10-23)20(26)16-5-3-4-6-17(16)21/h3-8,13-14,22H,9-12H2,1-2H3