1-[(4-azanylcinnolin-7-yl)methyl]-4-[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enyl]-3-methyl-piperazin-2-one

Systemtic Name: 1-[(4-azanylcinnolin-7-yl)methyl]-4-[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enyl]-3-methyl-piperazin-2-one Openeye Name: 1-[(4-aminocinnolin-7-yl)methyl]-4-[(E)-3-(5-chloro-2-thienyl)allyl]-3-methyl-piperazin-2-one CAS Name: 1-[(4-amino-7-cinnolinyl)methyl]-4-[(E)-3-(5-chloro-2-thiophenyl)prop-2-enyl]-3-methyl-2-piperazinone IUPAC Name: 1-[(4-aminocinnolin-7-yl)methyl]-4-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enyl]-3-methylpiperazin-2-one Traditional Name: 1-[(4-aminocinnolin-7-yl)methyl]-4-[(E)-3-(5-chloro-2-thienyl)allyl]-3-methyl-piperazin-2-one Formula: C21H22ClN5OS MolecularWeight: 427.95028

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1CC=CC2=CC=C(S2)Cl)CC3=CC4=C(C=C3)C(=CN=N4)N

Isomeric SMILES

CC1C(=O)N(CCN1C/C=C/C2=CC=C(S2)Cl)CC3=CC4=C(C=C3)C(=CN=N4)N

InChI

InChI=1S/C21H22ClN5OS/c1-14-21(28)27(10-9-26(14)8-2-3-16-5-7-20(22)29-16)13-15-4-6-17-18(23)12-24-25-19(17)11-15/h2-7,11-12,14H,8-10,13H2,1H3,(H2,23,25)/b3-2+