5-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoylamino]-2-ethyl-3-propyl-imidazole-4-carboxamide

Systemtic Name: 5-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoylamino]-2-ethyl-3-propyl-imidazole-4-carboxamide Openeye Name: 5-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-2-ethyl-3-propyl-imidazole-4-carboxamide CAS Name: 5-[[2-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxoethyl]amino]-2-ethyl-3-propyl-4-imidazolecarboxamide IUPAC Name: 5-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-2-ethyl-3-propylimidazole-4-carboxamide Traditional Name: 5-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-2-ethyl-3-propyl-imidazole-4-carboxamide Formula: C21H29Cl2N5O2 MolecularWeight: 454.39326

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=C1C(=O)N)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl)CC

Isomeric SMILES

CCCN1C(=NC(=C1C(=O)N)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl)CC

InChI

InChI=1S/C21H29Cl2N5O2/c1-3-11-28-17(4-2)25-21(19(28)20(24)30)26-18(29)14-15-5-7-16(8-6-15)27(12-9-22)13-10-23/h5-8H,3-4,9-14H2,1-2H3,(H2,24,30)(H,26,29)