N-[4-[bis(2-chloroethyl)amino]phenyl]-3-butyl-5-nitro-2-propyl-imidazole-4-carboxamide

Systemtic Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-3-butyl-5-nitro-2-propyl-imidazole-4-carboxamide Openeye Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-3-butyl-5-nitro-2-propyl-imidazole-4-carboxamide CAS Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-3-butyl-5-nitro-2-propyl-4-imidazolecarboxamide IUPAC Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-3-butyl-5-nitro-2-propylimidazole-4-carboxamide Traditional Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-3-butyl-5-nitro-2-propyl-imidazole-4-carboxamide Formula: C21H29Cl2N5O3 MolecularWeight: 470.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=C1C(=O)NC2=CC=C(C=C2)N(CCCl)CCCl)[N+](=O)[O-])CCC

Isomeric SMILES

CCCCN1C(=NC(=C1C(=O)NC2=CC=C(C=C2)N(CCCl)CCCl)[N+](=O)[O-])CCC

InChI

InChI=1S/C21H29Cl2N5O3/c1-3-5-13-27-18(6-4-2)25-20(28(30)31)19(27)21(29)24-16-7-9-17(10-8-16)26(14-11-22)15-12-23/h7-10H,3-6,11-15H2,1-2H3,(H,24,29)