2-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]-3H-benzimidazole-5-carbonitrile

Systemtic Name: 2-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]-3H-benzimidazole-5-carbonitrile Openeye Name: 2-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]-3H-benzimidazole-5-carbonitrile CAS Name: 2-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]-3H-benzimidazole-5-carbonitrile IUPAC Name: 2-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]-3H-benzimidazole-5-carbonitrile Traditional Name: 2-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]-3H-benzimidazole-5-carbonitrile Formula: C21H22Cl2N4 MolecularWeight: 401.33218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC2=NC3=C(N2)C=C(C=C3)C#N)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1CCCC2=NC3=C(N2)C=C(C=C3)C#N)N(CCCl)CCCl

InChI

InChI=1S/C21H22Cl2N4/c22-10-12-27(13-11-23)18-7-4-16(5-8-18)2-1-3-21-25-19-9-6-17(15-24)14-20(19)26-21/h4-9,14H,1-3,10-13H2,(H,25,26)