5-[4-(4-butoxyphenyl)carbonylpiperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H27ClN4O3/c1-2-3-17-33-21-11-9-19(10-12-21)24(31)29-15-13-28(14-16-29)22-18-27-30(25(32)23(22)26)20-7-5-4-6-8-20/h4-12,18H,2-3,13-17H2,1H3