(2-chloranyl-4-nitro-phenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-4-nitro-phenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]-(2-chloro-4-nitro-phenyl)methanone CAS Name: (2-chloro-4-nitrophenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: [4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-chloro-4-nitrophenyl)methanone Traditional Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]-(2-chloro-4-nitro-phenyl)methanone Formula: C25H26ClN5O3 MolecularWeight: 479.95864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)CC4=CC=CC=C4

InChI

InChI=1S/C25H26ClN5O3/c1-3-23-21(15-18-7-5-4-6-8-18)24(28-17(2)27-23)29-11-13-30(14-12-29)25(32)20-10-9-19(31(33)34)16-22(20)26/h4-10,16H,3,11-15H2,1-2H3