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

Systemtic Name: 4-[[4-[bis(2-chloroethyl)amino]phenyl]methylamino]-N-[2-[[2-(2-dimethylaminoethylcarbamoyl)-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide Openeye Name: 4-[[4-[bis(2-chloroethyl)amino]phenyl]methylamino]-N-[2-[[2-(2-dimethylaminoethylcarbamoyl)-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide CAS Name: 4-[[4-[bis(2-chloroethyl)amino]phenyl]methylamino]-N-[2-[[[2-[(2-dimethylaminoethylamino)-oxomethyl]-1-methyl-4-imidazolyl]amino]-oxomethyl]-1-methyl-4-imidazolyl]-1-methyl-2-imidazolecarboxamide IUPAC Name: 4-[[4-[bis(2-chloroethyl)amino]phenyl]methylamino]-N-[2-[[2-(2-dimethylaminoethylcarbamoyl)-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide Traditional Name: 4-[[4-[bis(2-chloroethyl)amino]benzyl]amino]-N-[2-[[2-(2-dimethylaminoethylcarbamoyl)-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide Formula: C30H40Cl2N12O3 MolecularWeight: 687.6232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=N3)C(=O)NCCN(C)C)C)C)NCC4=CC=C(C=C4)N(CCCl)CCCl

Isomeric SMILES

CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=N3)C(=O)NCCN(C)C)C)C)NCC4=CC=C(C=C4)N(CCCl)CCCl

InChI

InChI=1S/C30H40Cl2N12O3/c1-40(2)15-12-33-28(45)25-36-23(18-42(25)4)38-30(47)27-37-24(19-43(27)5)39-29(46)26-35-22(17-41(26)3)34-16-20-6-8-21(9-7-20)44(13-10-31)14-11-32/h6-9,17-19,34H,10-16H2,1-5H3,(H,33,45)(H,38,47)(H,39,46)