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

Systemtic Name: N-[5-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-yl-phenyl]benzamide Openeye Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-yl-phenyl]benzamide CAS Name: N-[5-[3-[[3-aminopropyl-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-2-(1-pyrrolidinyl)phenyl]benzamide IUPAC Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-ylphenyl]benzamide Traditional Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-pyrrolidino-phenyl]benzamide Formula: C31H36N4O2 MolecularWeight: 496.64314

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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=CC=C5

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)C4CC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H36N4O2/c32-16-7-19-35(31(37)25-12-13-25)22-23-8-6-11-26(20-23)27-14-15-29(34-17-4-5-18-34)28(21-27)33-30(36)24-9-2-1-3-10-24/h1-3,6,8-11,14-15,20-21,25H,4-5,7,12-13,16-19,22,32H2,(H,33,36)