N-[6-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]pyridin-3-yl]-3-methyl-but-2-enamide

Systemtic Name: N-[6-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]pyridin-3-yl]-3-methyl-but-2-enamide Openeye Name: N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridyl]-3-methyl-but-2-enamide CAS Name: N-[6-[4-[2-(4-chlorophenoxy)-1-oxoethyl]-1-piperazinyl]-3-pyridinyl]-3-methyl-2-butenamide IUPAC Name: N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]pyridin-3-yl]-3-methylbut-2-enamide Traditional Name: N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazino]-3-pyridyl]-3-methyl-but-2-enamide Formula: C22H25ClN4O3 MolecularWeight: 428.9119

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC(=CC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H25ClN4O3/c1-16(2)13-21(28)25-18-5-8-20(24-14-18)26-9-11-27(12-10-26)22(29)15-30-19-6-3-17(23)4-7-19/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,28)