2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C(C)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H23N3O3S/c1-11-17(12(2)21(4)20-11)19-18(22)13(3)25-14-6-7-15-16(10-14)24-9-5-8-23-15/h6-7,10,13H,5,8-9H2,1-4H3,(H,19,22)