4-[3-azanyl-1,5-bis(chloranyl)pentan-3-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[3-azanyl-1,5-bis(chloranyl)pentan-3-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[1-amino-3-chloro-1-(2-chloroethyl)propyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-(3-amino-1,5-dichloropentan-3-yl)-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-(3-amino-1,5-dichloropentan-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[1-amino-3-chloro-1-(2-chloroethyl)propyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C16H21Cl2N3O MolecularWeight: 342.26344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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