3-[4-[bis(2-chloroethyl)amino]butyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[4-[bis(2-chloroethyl)amino]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[bis(2-chloroethyl)amino]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[bis(2-chloroethyl)amino]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[bis(2-chloroethyl)amino]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[bis(2-chloroethyl)amino]butyl]-1H-indole-5-carbonitrile Formula: C17H21Cl2N3 MolecularWeight: 338.27474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C#N)C(=CN2)CCCCN(CCCl)CCCl

Isomeric SMILES

C1=CC2=C(C=C1C#N)C(=CN2)CCCCN(CCCl)CCCl

InChI

InChI=1S/C17H21Cl2N3/c18-6-9-22(10-7-19)8-2-1-3-15-13-21-17-5-4-14(12-20)11-16(15)17/h4-5,11,13,21H,1-3,6-10H2