[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]-(4-nitrophenyl)methanone Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O3/c1-17-22(16-19-6-4-3-5-7-19)23(26-18(2)25-17)27-12-14-28(15-13-27)24(30)20-8-10-21(11-9-20)29(31)32/h3-11H,12-16H2,1-2H3