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

Systemtic Name: 3-(3-chloranylpropanoyl)-1H-indole-5-carbonitrile; 3-(3-chloranylpropyl)-1H-indole-5-carbonitrile Openeye Name: 3-(3-chloropropanoyl)-1H-indole-5-carbonitrile; 3-(3-chloropropyl)-1H-indole-5-carbonitrile CAS Name: 3-(3-chloro-1-oxopropyl)-1H-indole-5-carbonitrile; 3-(3-chloropropyl)-1H-indole-5-carbonitrile IUPAC Name: 3-(3-chloropropanoyl)-1H-indole-5-carbonitrile; 3-(3-chloropropyl)-1H-indole-5-carbonitrile Traditional Name: 3-(3-chloropropanoyl)-1H-indole-5-carbonitrile; 3-(3-chloropropyl)-1H-indole-5-carbonitrile Formula: C24H20Cl2N4O MolecularWeight: 451.3478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O.C12H11ClN2/c13-4-3-12(16)10-7-15-11-2-1-8(6-14)5-9(10)11;13-5-1-2-10-8-15-12-4-3-9(7-14)6-11(10)12/h1-2,5,7,15H,3-4H2;3-4,6,8,15H,1-2,5H2