N-[2-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Systemtic Name: N-[2-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[2-(isoxazol-5-ylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-[2-(5-isoxazolylmethylthio)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[2-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-[2-(isoxazol-5-ylmethylthio)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3SCC4=CC=NO4

Isomeric SMILES

C1CNC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3SCC4=CC=NO4

InChI

InChI=1S/C21H19N3O2S/c25-21(16-9-11-22-18-6-2-1-5-15(18)13-16)24-19-7-3-4-8-20(19)27-14-17-10-12-23-26-17/h1-8,10,12-13,22H,9,11,14H2,(H,24,25)