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

Systemtic Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[3-(2-adamantylamino)-4-nitrophenyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazino]-(2-thienyl)methanone Formula: C25H30N4O3S MolecularWeight: 466.5957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5)C(=O)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5)C(=O)C6=CC=CS6

InChI

InChI=1S/C25H30N4O3S/c30-25(23-2-1-9-33-23)28-7-5-27(6-8-28)20-3-4-22(29(31)32)21(15-20)26-24-18-11-16-10-17(13-18)14-19(24)12-16/h1-4,9,15-19,24,26H,5-8,10-14H2