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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)OC1

InChI

InChI=1S/C25H22N4O3/c30-25(27-20-9-10-22-23(14-20)32-13-5-12-31-22)21-17-29(16-18-6-2-1-3-7-18)28-24(21)19-8-4-11-26-15-19/h1-4,6-11,14-15,17H,5,12-13,16H2,(H,27,30)