N-cyclopropyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-3-methyl-benzamide

Systemtic Name: N-cyclopropyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-3-methyl-benzamide Openeye Name: N-cyclopropyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-3-methyl-benzamide CAS Name: N-cyclopropyl-N-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl]-3-methylbenzamide IUPAC Name: N-cyclopropyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-3-methylbenzamide Traditional Name: N-cyclopropyl-N-[2-(dimethylamino)-5-(isovalerylamino)benzyl]-3-methyl-benzamide Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)CC(C)C)N(C)C)C3CC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)CC(C)C)N(C)C)C3CC3

InChI

InChI=1S/C25H33N3O2/c1-17(2)13-24(29)26-21-9-12-23(27(4)5)20(15-21)16-28(22-10-11-22)25(30)19-8-6-7-18(3)14-19/h6-9,12,14-15,17,22H,10-11,13,16H2,1-5H3,(H,26,29)