(4E)-4-[6-[(4-methylpiperazin-1-yl)methyl]indol-2-ylidene]-6-thiophen-3-yl-1,2-dihydropyridazin-3-one

Systemtic Name: (4E)-4-[6-[(4-methylpiperazin-1-yl)methyl]indol-2-ylidene]-6-thiophen-3-yl-1,2-dihydropyridazin-3-one Openeye Name: (4E)-4-[6-[(4-methylpiperazin-1-yl)methyl]indol-2-ylidene]-6-(3-thienyl)-1,2-dihydropyridazin-3-one CAS Name: (4E)-4-[6-[(4-methyl-1-piperazinyl)methyl]-2-indolylidene]-6-(3-thiophenyl)-1,2-dihydropyridazin-3-one IUPAC Name: (4E)-4-[6-[(4-methylpiperazin-1-yl)methyl]indol-2-ylidene]-6-thiophen-3-yl-1,2-dihydropyridazin-3-one Traditional Name: (4E)-4-[6-[(4-methylpiperazino)methyl]indol-2-ylidene]-6-(3-thienyl)-1,2-dihydropyridazin-3-one Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC3=NC(=C4C=C(NNC4=O)C5=CSC=C5)C=C3C=C2

Isomeric SMILES

CN1CCN(CC1)CC2=CC3=N/C(=C/4\C=C(NNC4=O)C5=CSC=C5)/C=C3C=C2

InChI

InChI=1S/C22H23N5OS/c1-26-5-7-27(8-6-26)13-15-2-3-16-11-21(23-19(16)10-15)18-12-20(24-25-22(18)28)17-4-9-29-14-17/h2-4,9-12,14,24H,5-8,13H2,1H3,(H,25,28)/b21-18+