4-nitro-N-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]benzamide

Systemtic Name: 4-nitro-N-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]benzamide Openeye Name: N-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]-4-nitro-benzamide CAS Name: N-[4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl]-4-nitrobenzamide IUPAC Name: N-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]-4-nitrobenzamide Traditional Name: N-[4-hydroxy-3,5-bis(pyrrolidinomethyl)phenyl]-4-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c28-22-18(15-25-9-1-2-10-25)13-20(14-19(22)16-26-11-3-4-12-26)24-23(29)17-5-7-21(8-6-17)27(30)31/h5-8,13-14,28H,1-4,9-12,15-16H2,(H,24,29)