N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-yl-pyrazol-4-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-yl-pyrazol-4-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[(E)-[3-methyl-1-phenyl-5-(1-piperidyl)pyrazol-4-yl]methyleneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[(E)-[3-methyl-1-phenyl-5-(1-piperidinyl)-4-pyrazolyl]methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[(E)-(3-methyl-1-phenyl-5-piperidino-pyrazol-4-yl)methyleneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C25H27N5O3 MolecularWeight: 445.51358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)C2COC3=CC=CC=C3O2)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=O)C2COC3=CC=CC=C3O2)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5O3/c1-18-20(16-26-27-24(31)23-17-32-21-12-6-7-13-22(21)33-23)25(29-14-8-3-9-15-29)30(28-18)19-10-4-2-5-11-19/h2,4-7,10-13,16,23H,3,8-9,14-15,17H2,1H3,(H,27,31)/b26-16+