3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(p-tolylmethylsulfanyl)ethyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-[(4-methylphenyl)methylthio]ethyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-[(4-methylbenzyl)thio]ethyl]pyrazole-4-carboxamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C24H27N3O3S/c1-17-4-6-18(7-5-17)16-31-13-10-25-24(28)20-15-27(2)26-23(20)19-8-9-21-22(14-19)30-12-3-11-29-21/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,25,28)