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

Systemtic Name: 5-[(2-chlorophenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-[(2-chlorobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[[(2-chlorophenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-[(2-chlorobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-[(2-chlorobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C31H28ClN3O2 MolecularWeight: 510.02592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4Cl)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4Cl)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C31H28ClN3O2/c32-28-13-7-6-12-26(28)31(37)34-25-14-15-29(35-19-17-23-10-4-5-11-24(23)21-35)27(20-25)30(36)33-18-16-22-8-2-1-3-9-22/h1-15,20H,16-19,21H2,(H,33,36)(H,34,37)