2-[1-(azepan-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]propanedinitrile

Systemtic Name: 2-[1-(azepan-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]propanedinitrile Openeye Name: 2-[1-(azepan-1-ylmethyl)-2-oxo-indolin-3-ylidene]propanedinitrile CAS Name: 2-[1-(1-azepanylmethyl)-2-oxo-3-indolylidene]propanedinitrile IUPAC Name: 2-[1-(azepan-1-ylmethyl)-2-oxoindol-3-ylidene]propanedinitrile Traditional Name: 2-[1-(azepan-1-ylmethyl)-2-keto-indolin-3-ylidene]malononitrile Formula: C18H18N4O MolecularWeight: 306.36172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CN2C3=CC=CC=C3C(=C(C#N)C#N)C2=O

Isomeric SMILES

C1CCCN(CC1)CN2C3=CC=CC=C3C(=C(C#N)C#N)C2=O

InChI

InChI=1S/C18H18N4O/c19-11-14(12-20)17-15-7-3-4-8-16(15)22(18(17)23)13-21-9-5-1-2-6-10-21/h3-4,7-8H,1-2,5-6,9-10,13H2