(E)-2-cyano-3-(3-methoxyphenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3-methoxyphenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]prop-2-enamide Openeye Name: (E)-2-cyano-3-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(3-methoxyphenyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-[6-(3-ketopiperazino)-3-pyridyl]-3-(3-methoxyphenyl)acrylamide Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C(C#N)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

COC1=CC=CC(=C1)/C=C(\C#N)/C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C20H19N5O3/c1-28-17-4-2-3-14(10-17)9-15(11-21)20(27)24-16-5-6-18(23-12-16)25-8-7-22-19(26)13-25/h2-6,9-10,12H,7-8,13H2,1H3,(H,22,26)(H,24,27)/b15-9+