N-[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[5-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[5-chloro-2-(4-isobutyrylpiperazino)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H30ClN5O4 MolecularWeight: 499.9898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H30ClN5O4/c1-17(2)25(33)30-13-11-29(12-14-30)21-8-6-19(26)16-20(21)27-24(32)18-5-7-22(23(15-18)31(34)35)28-9-3-4-10-28/h5-8,15-17H,3-4,9-14H2,1-2H3,(H,27,32)