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

Systemtic Name: 5-[(4-bromophenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-[(4-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[[(4-bromophenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-[(4-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-[(4-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C31H28BrN3O2 MolecularWeight: 554.47692

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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=C(C=C4)Br)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C31H28BrN3O2/c32-26-12-10-24(11-13-26)30(36)34-27-14-15-29(35-19-17-23-8-4-5-9-25(23)21-35)28(20-27)31(37)33-18-16-22-6-2-1-3-7-22/h1-15,20H,16-19,21H2,(H,33,37)(H,34,36)