N,N-bis(2-chloroethyl)-4-[(2-imidazol-1-ylphenyl)iminomethyl]-3-methoxy-aniline

Systemtic Name: N,N-bis(2-chloroethyl)-4-[(2-imidazol-1-ylphenyl)iminomethyl]-3-methoxy-aniline Openeye Name: N,N-bis(2-chloroethyl)-4-[(2-imidazol-1-ylphenyl)iminomethyl]-3-methoxy-aniline CAS Name: N,N-bis(2-chloroethyl)-4-[[2-(1-imidazolyl)phenyl]iminomethyl]-3-methoxyaniline IUPAC Name: N,N-bis(2-chloroethyl)-4-[(2-imidazol-1-ylphenyl)iminomethyl]-3-methoxyaniline Traditional Name: bis(2-chloroethyl)-[4-[(2-imidazol-1-ylphenyl)iminomethyl]-3-methoxy-phenyl]amine Formula: C21H22Cl2N4O MolecularWeight: 417.33158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CC=CC=C2N3C=CN=C3

Isomeric SMILES

COC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CC=CC=C2N3C=CN=C3

InChI

InChI=1S/C21H22Cl2N4O/c1-28-21-14-18(26(11-8-22)12-9-23)7-6-17(21)15-25-19-4-2-3-5-20(19)27-13-10-24-16-27/h2-7,10,13-16H,8-9,11-12H2,1H3