3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(phenylthio)propyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(phenylthio)propyl]pyrazole-4-carboxamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCCSC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCCSC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S/c1-26-16-19(23(27)24-11-5-14-30-18-7-3-2-4-8-18)22(25-26)17-9-10-20-21(15-17)29-13-6-12-28-20/h2-4,7-10,15-16H,5-6,11-14H2,1H3,(H,24,27)