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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-thienyl)pyrazole-4-carboxamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5)OC1

InChI

InChI=1S/C24H21N3O3S/c28-24(25-18-9-10-20-21(14-18)30-12-5-11-29-20)19-16-27(15-17-6-2-1-3-7-17)26-23(19)22-8-4-13-31-22/h1-4,6-10,13-14,16H,5,11-12,15H2,(H,25,28)