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

Systemtic Name: N-[5-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-yl-phenyl]cyclobutanecarboxamide Openeye Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-yl-phenyl]cyclobutanecarboxamide CAS Name: N-[5-[3-[[3-aminopropyl-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-2-(1-pyrrolidinyl)phenyl]cyclobutanecarboxamide IUPAC Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide Traditional Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-pyrrolidino-phenyl]cyclobutanecarboxamide Formula: C29H38N4O2 MolecularWeight: 474.63762

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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)C5CCC5

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)C4CC4)NC(=O)C5CCC5

InChI

InChI=1S/C29H38N4O2/c30-14-5-17-33(29(35)23-10-11-23)20-21-6-3-9-24(18-21)25-12-13-27(32-15-1-2-16-32)26(19-25)31-28(34)22-7-4-8-22/h3,6,9,12-13,18-19,22-23H,1-2,4-5,7-8,10-11,14-17,20,30H2,(H,31,34)