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

Systemtic Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-bromophenyl)methanone Openeye Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-bromophenyl)methanone CAS Name: [4-[3-(2-adamantylamino)-4-nitrophenyl]-1-piperazinyl]-(2-bromophenyl)methanone IUPAC Name: [4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-bromophenyl)methanone Traditional Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazino]-(2-bromophenyl)methanone Formula: C27H31BrN4O3 MolecularWeight: 539.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5)C(=O)C6=CC=CC=C6Br

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5)C(=O)C6=CC=CC=C6Br

InChI

InChI=1S/C27H31BrN4O3/c28-23-4-2-1-3-22(23)27(33)31-9-7-30(8-10-31)21-5-6-25(32(34)35)24(16-21)29-26-19-12-17-11-18(14-19)15-20(26)13-17/h1-6,16-20,26,29H,7-15H2