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

Systemtic Name: 4-chloranyl-5-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-[(E)-3-(2-furyl)prop-2-enoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-[(E)-3-(2-furyl)acryloyl]piperazino]-2-phenyl-pyridazin-3-one Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)C=CC4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)/C=C/C4=CC=CO4

InChI

InChI=1S/C21H19ClN4O3/c22-20-18(15-23-26(21(20)28)16-5-2-1-3-6-16)24-10-12-25(13-11-24)19(27)9-8-17-7-4-14-29-17/h1-9,14-15H,10-13H2/b9-8+