N-[3-[[(2-azanylcyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]cyclopentanecarboxamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]cyclopentanecarboxamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]cyclopentanecarboxamide CAS Name: N-[3-[[(2-aminocyclohexyl)-(3,3-dimethyl-1-oxobutyl)amino]methyl]phenyl]cyclopentanecarboxamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]cyclopentanecarboxamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]cyclopentanecarboxamide Formula: C25H39N3O2 MolecularWeight: 413.59606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=CC(=CC=C1)NC(=O)C2CCCC2)C3CCCCC3N

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC(=CC=C1)NC(=O)C2CCCC2)C3CCCCC3N

InChI

InChI=1S/C25H39N3O2/c1-25(2,3)16-23(29)28(22-14-7-6-13-21(22)26)17-18-9-8-12-20(15-18)27-24(30)19-10-4-5-11-19/h8-9,12,15,19,21-22H,4-7,10-11,13-14,16-17,26H2,1-3H3,(H,27,30)