4-chloranyl-5-[4-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-[(E)-3-(3-methyl-2-thienyl)prop-2-enoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[(E)-3-(3-methyl-2-thiophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-[(E)-3-(3-methyl-2-thienyl)acryloyl]piperazino]-2-phenyl-pyridazin-3-one Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O2S/c1-16-9-14-30-19(16)7-8-20(28)26-12-10-25(11-13-26)18-15-24-27(22(29)21(18)23)17-5-3-2-4-6-17/h2-9,14-15H,10-13H2,1H3/b8-7+