4-chloranyl-5-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[3-(2,5-dimethylphenoxy)-1-oxopropyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazino]-2-phenyl-pyridazin-3-one Formula: C25H27ClN4O3 MolecularWeight: 466.95988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H27ClN4O3/c1-18-8-9-19(2)22(16-18)33-15-10-23(31)29-13-11-28(12-14-29)21-17-27-30(25(32)24(21)26)20-6-4-3-5-7-20/h3-9,16-17H,10-15H2,1-2H3