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

Systemtic Name: (4-butylphenyl)-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (4-butylphenyl)-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (4-butylphenyl)-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4-butylphenyl)-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (4-butylphenyl)-[4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]methanone Formula: C33H35N5O3 MolecularWeight: 549.6627

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)[N+](=O)[O-])C)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)[N+](=O)[O-])C)C5=CC=CC=C5

InChI

InChI=1S/C33H35N5O3/c1-3-4-8-25-11-15-28(16-12-25)33(39)37-21-19-36(20-22-37)32-30(23-26-13-17-29(18-14-26)38(40)41)24(2)34-31(35-32)27-9-6-5-7-10-27/h5-7,9-18H,3-4,8,19-23H2,1-2H3