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

Systemtic Name: 5-[(3-bromophenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-[(3-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[[(3-bromophenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-[(3-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-[(3-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(=CC=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(=CC=C4)Br)C(=O)NCCC5=CC=CC=C5

InChI

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