2-chloranyl-N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[2-(4-dimethylaminophenyl)-2-(1-pyrrolidinyl)ethyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ylethyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[2-(4-dimethylaminophenyl)-2-pyrrolidino-ethyl]-5-nitro-benzamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N3CCCC3

InChI

InChI=1S/C21H25ClN4O3/c1-24(2)16-7-5-15(6-8-16)20(25-11-3-4-12-25)14-23-21(27)18-13-17(26(28)29)9-10-19(18)22/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,23,27)