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

Systemtic Name: (4-chloranyl-3-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]-(4-chloro-3-nitro-phenyl)methanone CAS Name: (4-chloro-3-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]-(4-chloro-3-nitrophenyl)methanone Traditional Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]-(4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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