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

Systemtic Name: 5-(2-chloranylethanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-[(2-chloroacetyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[(2-chloro-1-oxoethyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-[(2-chloroacetyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-[(2-chloroacetyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C26H26ClN3O2 MolecularWeight: 447.95654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)CCl)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)CCl)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H26ClN3O2/c27-17-25(31)29-22-10-11-24(30-15-13-20-8-4-5-9-21(20)18-30)23(16-22)26(32)28-14-12-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,28,32)(H,29,31)