2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]-N-[3-oxidanylidene-1-(phenylmethyl)-2,4-dihydro-1H-isoquinolin-4-yl]propanamide

Systemtic Name: 2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]-N-[3-oxidanylidene-1-(phenylmethyl)-2,4-dihydro-1H-isoquinolin-4-yl]propanamide Openeye Name: N-(1-benzyl-3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide CAS Name: 2-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]-N-[3-oxo-1-(phenylmethyl)-2,4-dihydro-1H-isoquinolin-4-yl]propanamide IUPAC Name: N-(1-benzyl-3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide Traditional Name: N-(1-benzyl-3-keto-2,4-dihydro-1H-isoquinolin-4-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propionamide Formula: C27H25F2N3O3 MolecularWeight: 477.502506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C2=CC=CC=C2C(NC1=O)CC3=CC=CC=C3)NC(=O)CC4=CC(=CC(=C4)F)F

Isomeric SMILES

CC(C(=O)NC1C2=CC=CC=C2C(NC1=O)CC3=CC=CC=C3)NC(=O)CC4=CC(=CC(=C4)F)F

InChI

InChI=1S/C27H25F2N3O3/c1-16(30-24(33)14-18-11-19(28)15-20(29)12-18)26(34)32-25-22-10-6-5-9-21(22)23(31-27(25)35)13-17-7-3-2-4-8-17/h2-12,15-16,23,25H,13-14H2,1H3,(H,30,33)(H,31,35)(H,32,34)