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

Systemtic Name: N-methyl-3-nitro-4-pyrrolidin-1-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide Openeye Name: N-methyl-3-nitro-4-pyrrolidin-1-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide CAS Name: N-methyl-3-nitro-4-(1-pyrrolidinyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide IUPAC Name: N-methyl-3-nitro-4-pyrrolidin-1-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide Traditional Name: N-methyl-3-nitro-4-pyrrolidino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide Formula: C22H24N6O3 MolecularWeight: 420.46436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3/c1-16(17-5-8-19(9-6-17)27-15-23-14-24-27)25(2)22(29)18-7-10-20(21(13-18)28(30)31)26-11-3-4-12-26/h5-10,13-16H,3-4,11-12H2,1-2H3