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

Systemtic Name: (3E)-3-[6-[(4-oxidanylpiperidin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[6-[(4-hydroxy-1-piperidyl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[6-[(4-hydroxy-1-piperidinyl)methyl]-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[6-[(4-hydroxypiperidin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[6-[(4-hydroxypiperidino)methyl]indol-2-ylidene]indazoline-6-carbonitrile Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CC2=CC3=NC(=C4C5=C(C=C(C=C5)C#N)NN4)C=C3C=C2

Isomeric SMILES

C1CN(CCC1O)CC2=CC3=N/C(=C/4\C5=C(C=C(C=C5)C#N)NN4)/C=C3C=C2

InChI

InChI=1S/C22H21N5O/c23-12-14-2-4-18-20(9-14)25-26-22(18)21-11-16-3-1-15(10-19(16)24-21)13-27-7-5-17(28)6-8-27/h1-4,9-11,17,25-26,28H,5-8,13H2/b22-21+