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

Systemtic Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-fluorophenyl)carbonylamino]benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-fluorobenzoyl)amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(4-fluorophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-fluorobenzoyl)amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-fluorobenzoyl)amino]-N-sec-butyl-benzamide Formula: C27H28FN3O2 MolecularWeight: 445.528523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28FN3O2/c1-3-18(2)29-27(33)24-16-23(30-26(32)20-8-10-22(28)11-9-20)12-13-25(24)31-15-14-19-6-4-5-7-21(19)17-31/h4-13,16,18H,3,14-15,17H2,1-2H3,(H,29,33)(H,30,32)