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

Systemtic Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-methylphenyl)methanone Openeye Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-(p-tolyl)methanone CAS Name: [4-[3-(2-adamantylamino)-4-nitrophenyl]-1-piperazinyl]-(4-methylphenyl)methanone IUPAC Name: [4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone Traditional Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazino]-(p-tolyl)methanone Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C28H34N4O3/c1-18-2-4-21(5-3-18)28(33)31-10-8-30(9-11-31)24-6-7-26(32(34)35)25(17-24)29-27-22-13-19-12-20(15-22)16-23(27)14-19/h2-7,17,19-20,22-23,27,29H,8-16H2,1H3