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

Systemtic Name: [4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone Openeye Name: [4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-(o-tolyl)methanone CAS Name: [4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-(2-methylphenyl)methanone IUPAC Name: [4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone Traditional Name: [4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]-(o-tolyl)methanone Formula: C30H29N5O3 MolecularWeight: 507.58296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)[N+](=O)[O-])C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)[N+](=O)[O-])C)C5=CC=CC=C5

InChI

InChI=1S/C30H29N5O3/c1-21-8-6-7-11-26(21)30(36)34-18-16-33(17-19-34)29-27(20-23-12-14-25(15-13-23)35(37)38)22(2)31-28(32-29)24-9-4-3-5-10-24/h3-15H,16-20H2,1-2H3