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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CC2=CC3=NC(=C4C5=C(C=C(C=C5)C#N)NN4)C=C3C=C2

Isomeric SMILES

C1CNCCN(C1)CC2=CC3=N/C(=C/4\C5=C(C=C(C=C5)C#N)NN4)/C=C3C=C2

InChI

InChI=1S/C22H22N6/c23-13-15-3-5-18-20(10-15)26-27-22(18)21-12-17-4-2-16(11-19(17)25-21)14-28-8-1-6-24-7-9-28/h2-5,10-12,24,26-27H,1,6-9,14H2/b22-21+