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

Systemtic Name: 5-[(4-bromophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-[(4-bromophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[[(4-bromoanilino)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-[(4-bromophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-[(4-bromophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C31H29BrN4O2 MolecularWeight: 569.49156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NC4=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)NC4=CC=C(C=C4)Br)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C31H29BrN4O2/c32-25-10-12-26(13-11-25)34-31(38)35-27-14-15-29(36-19-17-23-8-4-5-9-24(23)21-36)28(20-27)30(37)33-18-16-22-6-2-1-3-7-22/h1-15,20H,16-19,21H2,(H,33,37)(H2,34,35,38)