1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]-3-phenyl-propan-1-one Formula: C31H31N5O3 MolecularWeight: 521.60954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H31N5O3/c1-23-28(22-25-12-15-27(16-13-25)36(38)39)31(33-30(32-23)26-10-6-3-7-11-26)35-20-18-34(19-21-35)29(37)17-14-24-8-4-2-5-9-24/h2-13,15-16H,14,17-22H2,1H3