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

Systemtic Name: N-[2-(pyridin-4-ylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[2-(4-pyridylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-[2-(pyridin-4-ylmethylthio)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[2-(pyridin-4-ylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-[2-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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