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

Systemtic Name: 5-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-1-piperazinyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-[4-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]piperazino]-4-chloro-2-phenyl-pyridazin-3-one Formula: C24H21ClN4O4 MolecularWeight: 464.90094

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21ClN4O4/c25-23-19(15-26-29(24(23)31)18-4-2-1-3-5-18)27-10-12-28(13-11-27)22(30)9-7-17-6-8-20-21(14-17)33-16-32-20/h1-9,14-15H,10-13,16H2/b9-7+