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

Systemtic Name: N-[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-chloro-4-(4-pivaloylpiperazino)phenyl]-5-nitro-2-pyrrolidino-benzamide Formula: C26H32ClN5O4 MolecularWeight: 514.01638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32ClN5O4/c1-26(2,3)25(34)31-14-12-30(13-15-31)23-8-6-18(16-21(23)27)28-24(33)20-17-19(32(35)36)7-9-22(20)29-10-4-5-11-29/h6-9,16-17H,4-5,10-15H2,1-3H3,(H,28,33)