(2-bromophenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methanone

Systemtic Name: (2-bromophenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methanone Openeye Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-bromophenyl)methanone CAS Name: (2-bromophenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]methanone IUPAC Name: [4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-(2-bromophenyl)methanone Traditional Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-(2-bromophenyl)methanone Formula: C24H23BrN4O3 MolecularWeight: 495.36842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C24H23BrN4O3/c25-21-9-5-4-8-20(21)24(30)28-14-12-27(13-15-28)19-10-11-23(29(31)32)22(16-19)26-17-18-6-2-1-3-7-18/h1-11,16,26H,12-15,17H2