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

Systemtic Name: (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]prop-2-enamide Openeye Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]prop-2-enamide CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-propenamide IUPAC Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]prop-2-enamide Traditional Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-N-[6-(3-ketopiperazino)-3-pyridyl]acrylamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)OC

InChI

InChI=1S/C22H26N4O4/c1-15(2)30-18-7-4-16(12-19(18)29-3)5-9-21(27)25-17-6-8-20(24-13-17)26-11-10-23-22(28)14-26/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,23,28)(H,25,27)/b9-5+