4-morpholin-4-yl-3-nitro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide Openeye Name: 4-morpholino-3-nitro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide Traditional Name: 4-morpholino-3-nitro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=NC=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=NC=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4/c1-15(16-2-5-18(6-3-16)26-14-22-13-23-26)24-21(28)17-4-7-19(20(12-17)27(29)30)25-8-10-31-11-9-25/h2-7,12-15H,8-11H2,1H3,(H,24,28)