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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

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