N-phenyl-N-(pyridin-3-ylmethylsulfinyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Systemtic Name: N-phenyl-N-(pyridin-3-ylmethylsulfinyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-phenyl-N-(3-pyridylmethylsulfinyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-phenyl-N-(3-pyridinylmethylsulfinyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-phenyl-N-(pyridin-3-ylmethylsulfinyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-phenyl-N-(3-pyridylmethylsulfinyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC=C2C=C1C(=O)N(C3=CC=CC=C3)S(=O)CC4=CN=CC=C4

Isomeric SMILES

C1CNC2=CC=CC=C2C=C1C(=O)N(C3=CC=CC=C3)S(=O)CC4=CN=CC=C4

InChI

InChI=1S/C23H21N3O2S/c27-23(20-12-14-25-22-11-5-4-8-19(22)15-20)26(21-9-2-1-3-10-21)29(28)17-18-7-6-13-24-16-18/h1-11,13,15-16,25H,12,14,17H2