4-(cyclopropylamino)-3-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(cyclopropylamino)-3-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(cyclopropylamino)-3-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(cyclopropylamino)-3-nitro-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(cyclopropylamino)-3-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(cyclopropylamino)-3-nitro-N-[4-(pyrrolidinomethyl)benzyl]benzamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O3/c27-22(18-7-10-20(24-19-8-9-19)21(13-18)26(28)29)23-14-16-3-5-17(6-4-16)15-25-11-1-2-12-25/h3-7,10,13,19,24H,1-2,8-9,11-12,14-15H2,(H,23,27)