N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-N-propyl-cyclopropanecarboxamide

Systemtic Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-N-propyl-cyclopropanecarboxamide Openeye Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-N-propyl-cyclopropanecarboxamide CAS Name: N-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl]-N-propylcyclopropanecarboxamide IUPAC Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-N-propylcyclopropanecarboxamide Traditional Name: N-[2-(dimethylamino)-5-(isovalerylamino)benzyl]-N-propyl-cyclopropanecarboxamide Formula: C21H33N3O2 MolecularWeight: 359.50562

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=C(C=CC(=C1)NC(=O)CC(C)C)N(C)C)C(=O)C2CC2

Isomeric SMILES

CCCN(CC1=C(C=CC(=C1)NC(=O)CC(C)C)N(C)C)C(=O)C2CC2

InChI

InChI=1S/C21H33N3O2/c1-6-11-24(21(26)16-7-8-16)14-17-13-18(9-10-19(17)23(4)5)22-20(25)12-15(2)3/h9-10,13,15-16H,6-8,11-12,14H2,1-5H3,(H,22,25)