(3S)-2-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[4-(2-keto-1,3-benzoxazol-3-yl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CCCN3C4=CC=CC=C4OC3=O)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)CCCN3C4=CC=CC=C4OC3=O)C(=O)N

InChI

InChI=1S/C21H21N3O4/c22-20(26)17-12-14-6-1-2-7-15(14)13-24(17)19(25)10-5-11-23-16-8-3-4-9-18(16)28-21(23)27/h1-4,6-9,17H,5,10-13H2,(H2,22,26)/t17-/m0/s1