3-(3-chloranylpropanoyl)-1H-indole-5-carbonitrile; 1H-indole-5-carbonitrile

Systemtic Name: 3-(3-chloranylpropanoyl)-1H-indole-5-carbonitrile; 1H-indole-5-carbonitrile Openeye Name: 3-(3-chloropropanoyl)-1H-indole-5-carbonitrile; 1H-indole-5-carbonitrile CAS Name: 3-(3-chloro-1-oxopropyl)-1H-indole-5-carbonitrile; 1H-indole-5-carbonitrile IUPAC Name: 3-(3-chloropropanoyl)-1H-indole-5-carbonitrile; 1H-indole-5-carbonitrile Traditional Name: 3-(3-chloropropanoyl)-1H-indole-5-carbonitrile; 1H-indole-5-carbonitrile Formula: C21H15ClN4O MolecularWeight: 374.823

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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)CCCl

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O.C9H6N2/c13-4-3-12(16)10-7-15-11-2-1-8(6-14)5-9(10)11;10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5,7,15H,3-4H2;1-5,11H