1,3-benzodioxol-5-yl-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]methanone Formula: C25H25N5O5 MolecularWeight: 475.4965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O5/c1-16-21(13-18-3-6-20(7-4-18)30(32)33)24(27-17(2)26-16)28-9-11-29(12-10-28)25(31)19-5-8-22-23(14-19)35-15-34-22/h3-8,14H,9-13,15H2,1-2H3