N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H30ClN5O4 MolecularWeight: 499.9898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN5O4/c1-2-5-24(32)30-14-12-29(13-15-30)21-9-7-19(17-20(21)26)27-25(33)18-6-8-22(23(16-18)31(34)35)28-10-3-4-11-28/h6-9,16-17H,2-5,10-15H2,1H3,(H,27,33)