3-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(2-chloro-5-nitro-benzyl)-methyl-amino]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C20H24ClN5O3 MolecularWeight: 417.88926

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)N1CCN(CC1)C2=CC=CC=N2)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CCC(=O)N1CCN(CC1)C2=CC=CC=N2)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H24ClN5O3/c1-23(15-16-14-17(26(28)29)5-6-18(16)21)9-7-20(27)25-12-10-24(11-13-25)19-4-2-3-8-22-19/h2-6,8,14H,7,9-13,15H2,1H3