3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(6-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=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(N=C3C4=CC5=C(C=C4)OCCCO5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(N=C3C4=CC5=C(C=C4)OCCCO5)C

InChI

InChI=1S/C22H20N4O3S/c1-13-4-6-16-19(10-13)30-22(23-16)24-21(27)15-12-26(2)25-20(15)14-5-7-17-18(11-14)29-9-3-8-28-17/h4-7,10-12H,3,8-9H2,1-2H3,(H,23,24,27)