N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H19N3O3S/c1-14-17-13-20(29-22(17)25(24-14)16-6-3-2-4-7-16)21(26)23-15-8-9-18-19(12-15)28-11-5-10-27-18/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,23,26)