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

Systemtic Name: 5-[4-[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]piperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]piperazin-1-yl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(E)-3-(1,3-benzoxazol-2-yl)-1-oxoprop-2-enyl]-1-piperazinyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-[4-[(E)-3-(1,3-benzoxazol-2-yl)acryloyl]piperazino]-4-chloro-2-phenyl-pyridazin-3-one Formula: C24H20ClN5O3 MolecularWeight: 461.9003

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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=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)/C=C/C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C24H20ClN5O3/c25-23-19(16-26-30(24(23)32)17-6-2-1-3-7-17)28-12-14-29(15-13-28)22(31)11-10-21-27-18-8-4-5-9-20(18)33-21/h1-11,16H,12-15H2/b11-10+