4-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-N-[2-(2-dimethylaminoethylcarbamoyl)-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide

Systemtic Name: 4-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-N-[2-(2-dimethylaminoethylcarbamoyl)-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide Openeye Name: 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-(2-dimethylaminoethylcarbamoyl)-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide CAS Name: 4-[[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]amino]-N-[2-[(2-dimethylaminoethylamino)-oxomethyl]-1-methyl-4-imidazolyl]-1-methyl-2-imidazolecarboxamide IUPAC Name: 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-(2-dimethylaminoethylcarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide Traditional Name: 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-(2-dimethylaminoethylcarbamoyl)-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide Formula: C25H33Cl2N9O3 MolecularWeight: 578.49402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NCCN(C)C)C)NC(=O)C3=CC=C(C=C3)N(CCCl)CCCl

Isomeric SMILES

CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NCCN(C)C)C)NC(=O)C3=CC=C(C=C3)N(CCCl)CCCl

InChI

InChI=1S/C25H33Cl2N9O3/c1-33(2)14-11-28-24(38)21-29-20(16-34(21)3)32-25(39)22-30-19(15-35(22)4)31-23(37)17-5-7-18(8-6-17)36(12-9-26)13-10-27/h5-8,15-16H,9-14H2,1-4H3,(H,28,38)(H,31,37)(H,32,39)