N-[(E)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[(E)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[(E)-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)N/N=C/C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H21N5O3/c31-25(23-17-32-21-10-4-5-11-22(21)33-23)28-27-14-20-16-30(15-18-7-2-1-3-8-18)29-24(20)19-9-6-12-26-13-19/h1-14,16,23H,15,17H2,(H,28,31)/b27-14+