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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CN(N=C3C4=CC5=C(C=C4)OCCCO5)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CN(N=C3C4=CC5=C(C=C4)OCCCO5)C

InChI

InChI=1S/C22H20N4O3S/c1-13-5-3-6-18-19(13)23-22(30-18)24-21(27)15-12-26(2)25-20(15)14-7-8-16-17(11-14)29-10-4-9-28-16/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,23,24,27)