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

Systemtic Name: 1-[(4-azanylcinnolin-7-yl)methyl]-4-[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]-3-methyl-piperazin-2-one Openeye Name: 1-[(4-aminocinnolin-7-yl)methyl]-4-[(E)-3-(5-chloro-2-thienyl)prop-2-enoyl]-3-methyl-piperazin-2-one CAS Name: 1-[(4-amino-7-cinnolinyl)methyl]-4-[(E)-3-(5-chloro-2-thiophenyl)-1-oxoprop-2-enyl]-3-methyl-2-piperazinone IUPAC Name: 1-[(4-aminocinnolin-7-yl)methyl]-4-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-3-methylpiperazin-2-one Traditional Name: 1-[(4-aminocinnolin-7-yl)methyl]-4-[(E)-3-(5-chloro-2-thienyl)acryloyl]-3-methyl-piperazin-2-one Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1C(=O)C=CC2=CC=C(S2)Cl)CC3=CC4=C(C=C3)C(=CN=N4)N

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O2S/c1-13-21(29)26(12-14-2-5-16-17(23)11-24-25-18(16)10-14)8-9-27(13)20(28)7-4-15-3-6-19(22)30-15/h2-7,10-11,13H,8-9,12H2,1H3,(H2,23,25)/b7-4+