N-[[(3S)-2-[(3R)-3-azanyl-4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide

Systemtic Name: N-[[(3S)-2-[(3R)-3-azanyl-4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide Openeye Name: N-[[(3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide CAS Name: N-[[(3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)-1-oxobutyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide IUPAC Name: N-[[(3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide Traditional Name: N-[[(3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide Formula: C27H28FN3O2 MolecularWeight: 445.528523

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CC(CC3=CC=CC=C3F)N)CNC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)C[C@@H](CC3=CC=CC=C3F)N)CNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28FN3O2/c28-25-13-7-6-11-21(25)14-23(29)16-26(32)31-18-22-12-5-4-10-20(22)15-24(31)17-30-27(33)19-8-2-1-3-9-19/h1-13,23-24H,14-18,29H2,(H,30,33)/t23-,24+/m1/s1