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

Systemtic Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone Openeye Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-isopropylphenyl)methanone CAS Name: [4-[3-(2-adamantylamino)-4-nitrophenyl]-1-piperazinyl]-(4-propan-2-ylphenyl)methanone IUPAC Name: [4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone Traditional Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazino]-p-cumenyl-methanone Formula: C30H38N4O3 MolecularWeight: 502.64772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N4O3/c1-19(2)22-3-5-23(6-4-22)30(35)33-11-9-32(10-12-33)26-7-8-28(34(36)37)27(18-26)31-29-24-14-20-13-21(16-24)17-25(29)15-20/h3-8,18-21,24-25,29,31H,9-17H2,1-2H3