(E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]prop-2-enamide Openeye Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]prop-2-enamide CAS Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]prop-2-enamide Traditional Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-N-[6-(3-ketopiperazino)-3-pyridyl]acrylamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C=CC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)/C=C/C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)OC

InChI

InChI=1S/C22H25ClN4O4/c1-14(2)31-22-17(23)10-15(11-18(22)30-3)4-7-20(28)26-16-5-6-19(25-12-16)27-9-8-24-21(29)13-27/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,24,29)(H,26,28)/b7-4+