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

Systemtic Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one Openeye Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one Traditional Name: 1-[4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]pentan-1-one Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-4-5-6-21(28)25-11-13-26(14-12-25)22-20(16(2)23-17(3)24-22)15-18-7-9-19(10-8-18)27(29)30/h7-10H,4-6,11-15H2,1-3H3