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

Systemtic Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-(3-bromophenyl)methanone Openeye Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-(3-bromophenyl)methanone CAS Name: [4-[3-(2-adamantylamino)-4-nitrophenyl]-1-piperazinyl]-(3-bromophenyl)methanone IUPAC Name: [4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(3-bromophenyl)methanone Traditional Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazino]-(3-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=C6)Br

Isomeric SMILES

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

InChI

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