3-(4-chloranylbutanoyl)-1H-indole-5-carbonitrile; 1H-indole-5-carbonitrile

Systemtic Name: 3-(4-chloranylbutanoyl)-1H-indole-5-carbonitrile; 1H-indole-5-carbonitrile Openeye Name: 3-(4-chlorobutanoyl)-1H-indole-5-carbonitrile; 1H-indole-5-carbonitrile CAS Name: 3-(4-chloro-1-oxobutyl)-1H-indole-5-carbonitrile; 1H-indole-5-carbonitrile IUPAC Name: 3-(4-chlorobutanoyl)-1H-indole-5-carbonitrile; 1H-indole-5-carbonitrile Traditional Name: 3-(4-chlorobutanoyl)-1H-indole-5-carbonitrile; 1H-indole-5-carbonitrile Formula: C22H17ClN4O MolecularWeight: 388.84958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2)C=C1C#N.C1=CC2=C(C=C1C#N)C(=CN2)C(=O)CCCCl

Isomeric SMILES

C1=CC2=C(C=CN2)C=C1C#N.C1=CC2=C(C=C1C#N)C(=CN2)C(=O)CCCCl

InChI

InChI=1S/C13H11ClN2O.C9H6N2/c14-5-1-2-13(17)11-8-16-12-4-3-9(7-15)6-10(11)12;10-6-7-1-2-9-8(5-7)3-4-11-9/h3-4,6,8,16H,1-2,5H2;1-5,11H