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

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

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)(C)C)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)(C)C)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

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