4-[bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one dihydrochloride

Systemtic Name: 4-[bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one dihydrochloride Openeye Name: 4-[bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one dihydrochloride CAS Name: 4-[bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenyl-3-pyrazolone dihydrochloride IUPAC Name: 4-[bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one dihydrochloride Traditional Name: 4-[bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one dihydrochloride Formula: C16H23Cl4N3O MolecularWeight: 415.18532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN(CCCl)CCCl.Cl.Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN(CCCl)CCCl.Cl.Cl

InChI

InChI=1S/C16H21Cl2N3O.2ClH/c1-13-15(12-20(10-8-17)11-9-18)16(22)21(19(13)2)14-6-4-3-5-7-14;;/h3-7H,8-12H2,1-2H3;2*1H