1-ethyl-3-[(2-morpholin-4-ylpyridin-3-yl)methyl]-1-[(3-nitrophenyl)methyl]urea

Systemtic Name: 1-ethyl-3-[(2-morpholin-4-ylpyridin-3-yl)methyl]-1-[(3-nitrophenyl)methyl]urea Openeye Name: 1-ethyl-3-[(2-morpholino-3-pyridyl)methyl]-1-[(3-nitrophenyl)methyl]urea CAS Name: 1-ethyl-3-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-1-[(3-nitrophenyl)methyl]urea IUPAC Name: 1-ethyl-3-[(2-morpholin-4-ylpyridin-3-yl)methyl]-1-[(3-nitrophenyl)methyl]urea Traditional Name: 1-ethyl-3-[(2-morpholino-3-pyridyl)methyl]-1-(3-nitrobenzyl)urea Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)NCC2=C(N=CC=C2)N3CCOCC3

Isomeric SMILES

CCN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)NCC2=C(N=CC=C2)N3CCOCC3

InChI

InChI=1S/C20H25N5O4/c1-2-23(15-16-5-3-7-18(13-16)25(27)28)20(26)22-14-17-6-4-8-21-19(17)24-9-11-29-12-10-24/h3-8,13H,2,9-12,14-15H2,1H3,(H,22,26)