(1S)-2-[(3R)-3-azanyl-4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide

Systemtic Name: (1S)-2-[(3R)-3-azanyl-4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide Openeye Name: (1S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide CAS Name: (1S)-2-[(3R)-3-amino-4-(2-fluorophenyl)-1-oxobutyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide IUPAC Name: (1S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide Traditional Name: (1S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide Formula: C20H22FN3O2 MolecularWeight: 355.405983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)C(=O)N)C(=O)CC(CC3=CC=CC=C3F)N

Isomeric SMILES

C1CN([C@@H](C2=CC=CC=C21)C(=O)N)C(=O)C[C@@H](CC3=CC=CC=C3F)N

InChI

InChI=1S/C20H22FN3O2/c21-17-8-4-2-6-14(17)11-15(22)12-18(25)24-10-9-13-5-1-3-7-16(13)19(24)20(23)26/h1-8,15,19H,9-12,22H2,(H2,23,26)/t15-,19+/m1/s1