[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[6-methyl-5-(m-tolylmethyl)-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[6-methyl-5-(3-methylbenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C31H31N5O3 MolecularWeight: 521.60954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])C5=CC=CC=C5)C

InChI

InChI=1S/C31H31N5O3/c1-21-8-7-9-24(18-21)19-27-23(3)32-29(25-10-5-4-6-11-25)33-30(27)34-14-16-35(17-15-34)31(37)26-13-12-22(2)28(20-26)36(38)39/h4-13,18,20H,14-17,19H2,1-3H3