(3E)-3-[4-[(4-methyl-3-oxidanylidene-piperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile

Systemtic Name: (3E)-3-[4-[(4-methyl-3-oxidanylidene-piperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[4-[(4-methyl-3-oxo-piperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[4-[(4-methyl-3-oxo-1-piperazinyl)methyl]-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[4-[(4-methyl-3-oxopiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[4-[(3-keto-4-methyl-piperazino)methyl]indol-2-ylidene]indazoline-6-carbonitrile Formula: C22H20N6O MolecularWeight: 384.4338

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1=O)CC2=CC=CC3=NC(=C4C5=C(C=C(C=C5)C#N)NN4)C=C32

Isomeric SMILES

CN1CCN(CC1=O)CC2=CC=CC3=N/C(=C/4\C5=C(C=C(C=C5)C#N)NN4)/C=C32

InChI

InChI=1S/C22H20N6O/c1-27-7-8-28(13-21(27)29)12-15-3-2-4-18-17(15)10-20(24-18)22-16-6-5-14(11-23)9-19(16)25-26-22/h2-6,9-10,25-26H,7-8,12-13H2,1H3/b22-20+