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

Systemtic Name: (3E)-3-[4-(piperazin-1-ylmethyl)indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[4-(piperazin-1-ylmethyl)indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[4-(1-piperazinylmethyl)-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[4-(piperazin-1-ylmethyl)indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[4-(piperazinomethyl)indol-2-ylidene]indazoline-6-carbonitrile Formula: C21H20N6 MolecularWeight: 356.4237

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC=CC3=NC(=C4C5=C(C=C(C=C5)C#N)NN4)C=C32

Isomeric SMILES

C1CN(CCN1)CC2=CC=CC3=N/C(=C/4\C5=C(C=C(C=C5)C#N)NN4)/C=C32

InChI

InChI=1S/C21H20N6/c22-12-14-4-5-16-19(10-14)25-26-21(16)20-11-17-15(2-1-3-18(17)24-20)13-27-8-6-23-7-9-27/h1-5,10-11,23,25-26H,6-9,13H2/b21-20+