N-phenyl-N-[(3-propylimidazol-4-yl)methylsulfinyl]-8,9-dihydro-7H-pyrido[2,3-b]azepine-6-carboxamide

Systemtic Name: N-phenyl-N-[(3-propylimidazol-4-yl)methylsulfinyl]-8,9-dihydro-7H-pyrido[2,3-b]azepine-6-carboxamide Openeye Name: N-phenyl-N-[(3-propylimidazol-4-yl)methylsulfinyl]-8,9-dihydro-7H-pyrido[2,3-b]azepine-6-carboxamide CAS Name: N-phenyl-N-[(3-propyl-4-imidazolyl)methylsulfinyl]-8,9-dihydro-7H-pyrido[2,3-b]azepine-6-carboxamide IUPAC Name: N-phenyl-N-[(3-propylimidazol-4-yl)methylsulfinyl]-8,9-dihydro-7H-pyrido[2,3-b]azepine-6-carboxamide Traditional Name: N-phenyl-N-[(3-propylimidazol-4-yl)methylsulfinyl]-8,9-dihydro-7H-pyrid[2,3-b]azepine-6-carboxamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC=C1CS(=O)N(C2=CC=CC=C2)C(=O)C3=CC4=C(NCC3)N=CC=C4

Isomeric SMILES

CCCN1C=NC=C1CS(=O)N(C2=CC=CC=C2)C(=O)C3=CC4=C(NCC3)N=CC=C4

InChI

InChI=1S/C23H25N5O2S/c1-2-13-27-17-24-15-21(27)16-31(30)28(20-8-4-3-5-9-20)23(29)19-10-12-26-22-18(14-19)7-6-11-25-22/h3-9,11,14-15,17H,2,10,12-13,16H2,1H3,(H,25,26)