2-[bis(2-chloroethyl)aminomethyl]-5-[(4-butylphenyl)methoxy]-4-chloranyl-pyridazin-3-one

Systemtic Name: 2-[bis(2-chloroethyl)aminomethyl]-5-[(4-butylphenyl)methoxy]-4-chloranyl-pyridazin-3-one Openeye Name: 2-[bis(2-chloroethyl)aminomethyl]-5-[(4-butylphenyl)methoxy]-4-chloro-pyridazin-3-one CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-5-[(4-butylphenyl)methoxy]-4-chloro-3-pyridazinone IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]-5-[(4-butylphenyl)methoxy]-4-chloropyridazin-3-one Traditional Name: 2-[bis(2-chloroethyl)aminomethyl]-5-(4-butylbenzyl)oxy-4-chloro-pyridazin-3-one Formula: C20H26Cl3N3O2 MolecularWeight: 446.79834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)COC2=C(C(=O)N(N=C2)CN(CCCl)CCCl)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)COC2=C(C(=O)N(N=C2)CN(CCCl)CCCl)Cl

InChI

InChI=1S/C20H26Cl3N3O2/c1-2-3-4-16-5-7-17(8-6-16)14-28-18-13-24-26(20(27)19(18)23)15-25(11-9-21)12-10-22/h5-8,13H,2-4,9-12,14-15H2,1H3