2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-methylbutanoylamino)-N-phenethyl-benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-methylbutanoylamino)-N-phenethyl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-methylbutanoylamino)-N-phenethyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-methyl-1-oxobutyl)amino]-N-phenethylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-methylbutanoylamino)-N-phenethylbenzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(isovalerylamino)-N-phenethyl-benzamide Formula: C29H33N3O2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O2/c1-21(2)18-28(33)31-25-12-13-27(32-17-15-23-10-6-7-11-24(23)20-32)26(19-25)29(34)30-16-14-22-8-4-3-5-9-22/h3-13,19,21H,14-18,20H2,1-2H3,(H,30,34)(H,31,33)