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

Systemtic Name: (3E)-3-[4-[(oxan-4-ylmethylamino)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[4-[(tetrahydropyran-4-ylmethylamino)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[4-[(4-oxanylmethylamino)methyl]-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[4-[(oxan-4-ylmethylamino)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[4-[(tetrahydropyran-4-ylmethylamino)methyl]indol-2-ylidene]indazoline-6-carbonitrile Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNCC2=CC=CC3=NC(=C4C5=C(C=C(C=C5)C#N)NN4)C=C32

Isomeric SMILES

C1COCCC1CNCC2=CC=CC3=N/C(=C/4\C5=C(C=C(C=C5)C#N)NN4)/C=C32

InChI

InChI=1S/C23H23N5O/c24-12-16-4-5-18-21(10-16)27-28-23(18)22-11-19-17(2-1-3-20(19)26-22)14-25-13-15-6-8-29-9-7-15/h1-5,10-11,15,25,27-28H,6-9,13-14H2/b23-22+