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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C23H19N3O3S/c27-23(24-16-9-10-19-20(14-16)29-12-5-11-28-19)18-15-26(17-6-2-1-3-7-17)25-22(18)21-8-4-13-30-21/h1-4,6-10,13-15H,5,11-12H2,(H,24,27)