[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone

Systemtic Name: [4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone Openeye Name: [4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-isopropoxyphenyl)methanone CAS Name: [4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]-1-piperazinyl]-(4-propan-2-yloxyphenyl)methanone IUPAC Name: [4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone Traditional Name: (4-isopropoxyphenyl)-[4-[3-(neopentylamino)-4-nitro-phenyl]piperazino]methanone Formula: C25H34N4O4 MolecularWeight: 454.56186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC(C)(C)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC(C)(C)C

InChI

InChI=1S/C25H34N4O4/c1-18(2)33-21-9-6-19(7-10-21)24(30)28-14-12-27(13-15-28)20-8-11-23(29(31)32)22(16-20)26-17-25(3,4)5/h6-11,16,18,26H,12-15,17H2,1-5H3