N-[5-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-yl-phenyl]-4-nitro-benzamide

Systemtic Name: N-[5-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-yl-phenyl]-4-nitro-benzamide Openeye Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-yl-phenyl]-4-nitro-benzamide CAS Name: N-[5-[3-[[3-aminopropyl-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-2-(1-pyrrolidinyl)phenyl]-4-nitrobenzamide IUPAC Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-ylphenyl]-4-nitrobenzamide Traditional Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-pyrrolidino-phenyl]-4-nitro-benzamide Formula: C31H35N5O4 MolecularWeight: 541.6407

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)C4CC4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)C4CC4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H35N5O4/c32-15-4-18-35(31(38)24-7-8-24)21-22-5-3-6-25(19-22)26-11-14-29(34-16-1-2-17-34)28(20-26)33-30(37)23-9-12-27(13-10-23)36(39)40/h3,5-6,9-14,19-20,24H,1-2,4,7-8,15-18,21,32H2,(H,33,37)