N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methyleneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methyleneamino]-piperonylamide Formula: C23H23N5O3 MolecularWeight: 417.46042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)C2=CC3=C(C=C2)OCO3)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=O)C2=CC3=C(C=C2)OCO3)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C23H23N5O3/c1-16-19(14-24-25-22(29)17-9-10-20-21(13-17)31-15-30-20)23(27-11-5-6-12-27)28(26-16)18-7-3-2-4-8-18/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,25,29)/b24-14+