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

Systemtic Name: 5-[(3-bromophenyl)carbonylamino]-N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Openeye Name: 5-[(3-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-sec-butyl-benzamide CAS Name: 5-[[(3-bromophenyl)-oxomethyl]amino]-N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide IUPAC Name: 5-[(3-bromobenzoyl)amino]-N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Traditional Name: 5-[(3-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-sec-butyl-benzamide Formula: C27H28BrN3O2 MolecularWeight: 506.43412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)Br)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)Br)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H28BrN3O2/c1-3-18(2)29-27(33)24-16-23(30-26(32)20-9-6-10-22(28)15-20)11-12-25(24)31-14-13-19-7-4-5-8-21(19)17-31/h4-12,15-16,18H,3,13-14,17H2,1-2H3,(H,29,33)(H,30,32)