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

Systemtic Name: N-[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)-3-chlorophenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(4-acetylpiperazino)-3-chloro-phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C23H26ClN5O4 MolecularWeight: 471.93664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN5O4/c1-16(30)26-10-12-28(13-11-26)20-7-5-18(15-19(20)24)25-23(31)17-4-6-21(22(14-17)29(32)33)27-8-2-3-9-27/h4-7,14-15H,2-3,8-13H2,1H3,(H,25,31)