ethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]-3H-benzimidazole-5-carboximidate

Systemtic Name: ethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]-3H-benzimidazole-5-carboximidate Openeye Name: ethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]-3H-benzimidazole-5-carboximidate CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-3H-benzimidazole-5-carboximidic acid ethyl ester IUPAC Name: ethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]-3H-benzimidazole-5-carboximidate Traditional Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-3H-benzimidazole-5-carboximidic acid ethyl ester Formula: C20H22Cl2N4O MolecularWeight: 405.32088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=N)C1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)N(CCCl)CCCl

Isomeric SMILES

CCOC(=N)C1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)N(CCCl)CCCl

InChI

InChI=1S/C20H22Cl2N4O/c1-2-27-19(23)15-5-8-17-18(13-15)25-20(24-17)14-3-6-16(7-4-14)26(11-9-21)12-10-22/h3-8,13,23H,2,9-12H2,1H3,(H,24,25)