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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H24N4O3S/c1-28-15-17(23(27-28)16-9-10-19-20(14-16)31-13-5-12-30-19)24(29)25-11-4-8-22-26-18-6-2-3-7-21(18)32-22/h2-3,6-7,9-10,14-15H,4-5,8,11-13H2,1H3,(H,25,29)