5-[2-(4-chloranylphenoxy)ethanoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide

Systemtic Name: 5-[2-(4-chloranylphenoxy)ethanoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C32H30ClN3O3 MolecularWeight: 540.0519

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)COC4=CC=C(C=C4)Cl)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)COC4=CC=C(C=C4)Cl)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C32H30ClN3O3/c33-26-10-13-28(14-11-26)39-22-31(37)35-27-12-15-30(36-19-17-24-8-4-5-9-25(24)21-36)29(20-27)32(38)34-18-16-23-6-2-1-3-7-23/h1-15,20H,16-19,21-22H2,(H,34,38)(H,35,37)