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

Systemtic Name: 4-[bis(2-chloroethyl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one hydrochloride Openeye Name: 4-[bis(2-chloroethyl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one hydrochloride CAS Name: 4-[bis(2-chloroethyl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolone hydrochloride IUPAC Name: 4-[bis(2-chloroethyl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one hydrochloride Traditional Name: 4-[bis(2-chloroethyl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one hydrochloride Formula: C15H20Cl3N3O MolecularWeight: 364.6978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19Cl2N3O.ClH/c1-12-14(19(10-8-16)11-9-17)15(21)20(18(12)2)13-6-4-3-5-7-13;/h3-7H,8-11H2,1-2H3;1H