2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylbutanoylamino)-N-propan-2-yl-benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylbutanoylamino)-N-propan-2-yl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopropyl-5-(2-phenylbutanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(1-oxo-2-phenylbutyl)amino]-N-propan-2-ylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylbutanoylamino)-N-propan-2-ylbenzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopropyl-5-(2-phenylbutanoylamino)benzamide Formula: C29H33N3O2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NC(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NC(C)C

InChI

InChI=1S/C29H33N3O2/c1-4-25(22-11-6-5-7-12-22)28(33)31-24-14-15-27(26(18-24)29(34)30-20(2)3)32-17-16-21-10-8-9-13-23(21)19-32/h5-15,18,20,25H,4,16-17,19H2,1-3H3,(H,30,34)(H,31,33)