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

Systemtic Name: [4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]-piperazin-1-yl-methanone Openeye Name: [4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]-piperazin-1-yl-methanone CAS Name: [4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]-piperazin-1-ylmethanone Traditional Name: [4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]-piperazino-methanone Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)N2CCNCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)N2CCNCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3/c1-15-19(22(28)26-12-10-23-11-13-26)20(17-8-5-9-18(14-17)27(29)30)25-21(24-15)16-6-3-2-4-7-16/h2-9,14,23H,10-13H2,1H3