2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-1-pyrrolidin-1-yl-3-(2H-1,2,3,4-tetrazol-5-yl)propan-1-one

Systemtic Name: 2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-1-pyrrolidin-1-yl-3-(2H-1,2,3,4-tetrazol-5-yl)propan-1-one Openeye Name: 2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-1-pyrrolidin-1-yl-3-(2H-tetrazol-5-yl)propan-1-one CAS Name: 2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-1-(1-pyrrolidinyl)-3-(2H-tetrazol-5-yl)-1-propanone IUPAC Name: 2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-1-pyrrolidin-1-yl-3-(2H-tetrazol-5-yl)propan-1-one Traditional Name: 2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-1-pyrrolidino-3-(2H-tetrazol-5-yl)propan-1-one Formula: C23H27N7O3 MolecularWeight: 449.50558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NNN=N1)(C2=CC(=C(C=C2)NCCC3=CC=CC=C3)[N+](=O)[O-])C(=O)N4CCCC4

Isomeric SMILES

CC(CC1=NNN=N1)(C2=CC(=C(C=C2)NCCC3=CC=CC=C3)[N+](=O)[O-])C(=O)N4CCCC4

InChI

InChI=1S/C23H27N7O3/c1-23(16-21-25-27-28-26-21,22(31)29-13-5-6-14-29)18-9-10-19(20(15-18)30(32)33)24-12-11-17-7-3-2-4-8-17/h2-4,7-10,15,24H,5-6,11-14,16H2,1H3,(H,25,26,27,28)