2,2-dimethyl-1-[4-[4-nitro-3-[[(2R)-oxolan-2-yl]methylamino]phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[4-[4-nitro-3-[[(2R)-oxolan-2-yl]methylamino]phenyl]piperazin-1-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[4-[4-nitro-3-[[(2R)-tetrahydrofuran-2-yl]methylamino]phenyl]piperazin-1-yl]propan-1-one CAS Name: 2,2-dimethyl-1-[4-[4-nitro-3-[[(2R)-2-oxolanyl]methylamino]phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[4-[4-nitro-3-[[(2R)-oxolan-2-yl]methylamino]phenyl]piperazin-1-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[4-[4-nitro-3-[[(2R)-tetrahydrofuran-2-yl]methylamino]phenyl]piperazino]propan-1-one Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3CCCO3

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC[C@H]3CCCO3

InChI

InChI=1S/C20H30N4O4/c1-20(2,3)19(25)23-10-8-22(9-11-23)15-6-7-18(24(26)27)17(13-15)21-14-16-5-4-12-28-16/h6-7,13,16,21H,4-5,8-12,14H2,1-3H3/t16-/m1/s1