N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-phenylpropanoylamino)benzamide

Systemtic Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-phenylpropanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-phenylpropanoylamino)-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(1-oxo-3-phenylpropyl)amino]benzamide IUPAC Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-phenylpropanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hydrocinnamoylamino)-N-sec-butyl-benzamide Formula: C29H33N3O2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CCC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CCC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C29H33N3O2/c1-3-21(2)30-29(34)26-19-25(31-28(33)16-13-22-9-5-4-6-10-22)14-15-27(26)32-18-17-23-11-7-8-12-24(23)20-32/h4-12,14-15,19,21H,3,13,16-18,20H2,1-2H3,(H,30,34)(H,31,33)