N-[6-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-3-methyl-but-2-enamide

Systemtic Name: N-[6-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-3-methyl-but-2-enamide Openeye Name: N-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridyl]-3-methyl-but-2-enamide CAS Name: N-[6-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-3-methyl-2-butenamide IUPAC Name: N-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridin-3-yl]-3-methylbut-2-enamide Traditional Name: 3-methyl-N-[6-(4-p-anisoylpiperazino)-3-pyridyl]but-2-enamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-16(2)14-21(27)24-18-6-9-20(23-15-18)25-10-12-26(13-11-25)22(28)17-4-7-19(29-3)8-5-17/h4-9,14-15H,10-13H2,1-3H3,(H,24,27)