1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]butan-1-one Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)[N+](=O)[O-])C)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)[N+](=O)[O-])C)C4=CC=CC=C4

InChI

InChI=1S/C26H29N5O3/c1-3-7-24(32)29-14-16-30(17-15-29)26-23(18-20-10-12-22(13-11-20)31(33)34)19(2)27-25(28-26)21-8-5-4-6-9-21/h4-6,8-13H,3,7,14-18H2,1-2H3