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

Systemtic Name: (3E)-3-[4-(1,4-diazepan-1-ylmethyl)indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[4-(1,4-diazepan-1-ylmethyl)indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[4-(1,4-diazepan-1-ylmethyl)-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[4-(1,4-diazepan-1-ylmethyl)indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[4-(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=CC=CC3=NC(=C4C5=C(C=C(C=C5)C#N)NN4)C=C32

Isomeric SMILES

C1CNCCN(C1)CC2=CC=CC3=N/C(=C/4\C5=C(C=C(C=C5)C#N)NN4)/C=C32

InChI

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