4-chloranyl-5-[4-[4-(3-methylphenoxy)butanoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O3/c1-19-7-5-10-21(17-19)33-16-6-11-23(31)29-14-12-28(13-15-29)22-18-27-30(25(32)24(22)26)20-8-3-2-4-9-20/h2-5,7-10,17-18H,6,11-16H2,1H3