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

Systemtic Name: (3E)-3-[4-[(pyrrolidin-3-ylmethylamino)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[4-[(pyrrolidin-3-ylmethylamino)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[4-[(3-pyrrolidinylmethylamino)methyl]-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[4-[(pyrrolidin-3-ylmethylamino)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[4-[(pyrrolidin-3-ylmethylamino)methyl]indol-2-ylidene]indazoline-6-carbonitrile Formula: C22H22N6 MolecularWeight: 370.45028

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CNCC2=CC=CC3=NC(=C4C5=C(C=C(C=C5)C#N)NN4)C=C32

Isomeric SMILES

C1CNCC1CNCC2=CC=CC3=N/C(=C/4\C5=C(C=C(C=C5)C#N)NN4)/C=C32

InChI

InChI=1S/C22H22N6/c23-10-14-4-5-17-20(8-14)27-28-22(17)21-9-18-16(2-1-3-19(18)26-21)13-25-12-15-6-7-24-11-15/h1-5,8-9,15,24-25,27-28H,6-7,11-13H2/b22-21+