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

Systemtic Name: N-[5-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-yl-phenyl]cyclohexanecarboxamide Openeye Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-yl-phenyl]cyclohexanecarboxamide CAS Name: N-[5-[3-[[3-aminopropyl-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-2-(1-pyrrolidinyl)phenyl]cyclohexanecarboxamide IUPAC Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide Traditional Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-pyrrolidino-phenyl]cyclohexanecarboxamide Formula: C31H42N4O2 MolecularWeight: 502.69078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)C4CC4)N5CCCC5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)C4CC4)N5CCCC5

InChI

InChI=1S/C31H42N4O2/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/h6,8,11,14-15,20-21,24-25H,1-5,7,9-10,12-13,16-19,22,32H2,(H,33,36)