(3E)-3-[5-[(oxan-4-ylmethylamino)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile

Systemtic Name: (3E)-3-[5-[(oxan-4-ylmethylamino)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[5-[(tetrahydropyran-4-ylmethylamino)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[5-[(4-oxanylmethylamino)methyl]-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[5-[(oxan-4-ylmethylamino)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[5-[(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=CC3=CC(=C4C5=C(C=C(C=C5)C#N)NN4)N=C3C=C2

Isomeric SMILES

C1COCCC1CNCC2=CC3=C/C(=C\4/C5=C(C=C(C=C5)C#N)NN4)/N=C3C=C2

InChI

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