(3E)-3-[5-[(3-azanylpyrrolidin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile

Systemtic Name: (3E)-3-[5-[(3-azanylpyrrolidin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[5-[(3-aminopyrrolidin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[5-[(3-amino-1-pyrrolidinyl)methyl]-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[5-[(3-aminopyrrolidin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[5-[(3-aminopyrrolidino)methyl]indol-2-ylidene]indazoline-6-carbonitrile Formula: C21H20N6 MolecularWeight: 356.4237

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)CC2=CC3=CC(=C4C5=C(C=C(C=C5)C#N)NN4)N=C3C=C2

Isomeric SMILES

C1CN(CC1N)CC2=CC3=C/C(=C\4/C5=C(C=C(C=C5)C#N)NN4)/N=C3C=C2

InChI

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