N-[4-[[[3-(aminomethyl)phenyl]methyl-cyclobutylcarbonyl-amino]methyl]phenyl]cyclobutanecarboxamide

Systemtic Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-cyclobutylcarbonyl-amino]methyl]phenyl]cyclobutanecarboxamide Openeye Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-(cyclobutanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide CAS Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-[cyclobutyl(oxo)methyl]amino]methyl]phenyl]cyclobutanecarboxamide IUPAC Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-(cyclobutanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide Traditional Name: N-[4-[[[3-(aminomethyl)benzyl]-(cyclobutanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=CC=C(C=C2)CN(CC3=CC=CC(=C3)CN)C(=O)C4CCC4

Isomeric SMILES

C1CC(C1)C(=O)NC2=CC=C(C=C2)CN(CC3=CC=CC(=C3)CN)C(=O)C4CCC4

InChI

InChI=1S/C25H31N3O2/c26-15-19-4-1-5-20(14-19)17-28(25(30)22-8-3-9-22)16-18-10-12-23(13-11-18)27-24(29)21-6-2-7-21/h1,4-5,10-14,21-22H,2-3,6-9,15-17,26H2,(H,27,29)