1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]hexan-1-one

Systemtic Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]hexan-1-one Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C23H31N5O3/c1-4-5-6-7-22(29)26-12-14-27(15-13-26)23-21(17(2)24-18(3)25-23)16-19-8-10-20(11-9-19)28(30)31/h8-11H,4-7,12-16H2,1-3H3