1-(1-morpholin-4-ylethyl)-5-[(3-nitrophenyl)methyl]-3-phenyl-1,2,4-triazin-6-one

Systemtic Name: 1-(1-morpholin-4-ylethyl)-5-[(3-nitrophenyl)methyl]-3-phenyl-1,2,4-triazin-6-one Openeye Name: 1-(1-morpholinoethyl)-5-[(3-nitrophenyl)methyl]-3-phenyl-1,2,4-triazin-6-one CAS Name: 1-[1-(4-morpholinyl)ethyl]-5-[(3-nitrophenyl)methyl]-3-phenyl-1,2,4-triazin-6-one IUPAC Name: 1-(1-morpholin-4-ylethyl)-5-[(3-nitrophenyl)methyl]-3-phenyl-1,2,4-triazin-6-one Traditional Name: 1-(1-morpholinoethyl)-5-(3-nitrobenzyl)-3-phenyl-1,2,4-triazin-6-one Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCOCC1)N2C(=O)C(=NC(=N2)C3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(N1CCOCC1)N2C(=O)C(=NC(=N2)C3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-16(25-10-12-31-13-11-25)26-22(28)20(15-17-6-5-9-19(14-17)27(29)30)23-21(24-26)18-7-3-2-4-8-18/h2-9,14,16H,10-13,15H2,1H3