2-(1H-benzimidazol-2-yl)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-methyl-pyrazol-3-one

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-methyl-pyrazol-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-methyl-pyrazol-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-methyl-3-pyrazolone IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-methylpyrazol-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-5-methyl-4-[1-(piperonylamino)ethylidene]-2-pyrazolin-3-one Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NCC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H19N5O3/c1-12(22-10-14-7-8-17-18(9-14)29-11-28-17)19-13(2)25-26(20(19)27)21-23-15-5-3-4-6-16(15)24-21/h3-9,22H,10-11H2,1-2H3,(H,23,24)