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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-(3-phenylpropanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-(3-phenylpropanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(1-oxo-3-phenylpropyl)amino]-N-phenethylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-(3-phenylpropanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hydrocinnamoylamino)-N-phenethyl-benzamide Formula: C33H33N3O2 MolecularWeight: 503.63402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)CCC4=CC=CC=C4)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)CCC4=CC=CC=C4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C33H33N3O2/c37-32(18-15-25-9-3-1-4-10-25)35-29-16-17-31(36-22-20-27-13-7-8-14-28(27)24-36)30(23-29)33(38)34-21-19-26-11-5-2-6-12-26/h1-14,16-17,23H,15,18-22,24H2,(H,34,38)(H,35,37)