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

Systemtic Name: (3-bromophenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methanone Openeye Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-(3-bromophenyl)methanone CAS Name: (3-bromophenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]methanone IUPAC Name: [4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-(3-bromophenyl)methanone Traditional Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-(3-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=C4)Br

Isomeric SMILES

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

InChI

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