N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-4-(2-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-4-(2-nitrophenyl)piperazine-1-carboxamide Openeye Name: N-[(2-morpholino-3-pyridyl)methyl]-4-(2-nitrophenyl)piperazine-1-carboxamide CAS Name: N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-4-(2-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-4-(2-nitrophenyl)piperazine-1-carboxamide Traditional Name: N-[(2-morpholino-3-pyridyl)methyl]-4-(2-nitrophenyl)piperazine-1-carboxamide Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3=C(N=CC=C3)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3=C(N=CC=C3)N4CCOCC4

InChI

InChI=1S/C21H26N6O4/c28-21(23-16-17-4-3-7-22-20(17)25-12-14-31-15-13-25)26-10-8-24(9-11-26)18-5-1-2-6-19(18)27(29)30/h1-7H,8-16H2,(H,23,28)