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

Systemtic Name: N-[2-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[2-(3-pyridylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-[2-(3-pyridinylmethylthio)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[2-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-[2-(3-pyridylmethylthio)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3SCC4=CN=CC=C4

Isomeric SMILES

C1CNC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3SCC4=CN=CC=C4

InChI

InChI=1S/C23H21N3OS/c27-23(19-11-13-25-20-8-2-1-7-18(20)14-19)26-21-9-3-4-10-22(21)28-16-17-6-5-12-24-15-17/h1-10,12,14-15,25H,11,13,16H2,(H,26,27)