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

Systemtic Name: N-[6-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-3-methyl-but-2-enamide Openeye Name: N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridyl]-3-methyl-but-2-enamide CAS Name: N-[6-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-3-methyl-2-butenamide IUPAC Name: N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]pyridin-3-yl]-3-methylbut-2-enamide Traditional Name: N-[6-[4-(3-fluorobenzoyl)piperazino]-3-pyridyl]-3-methyl-but-2-enamide Formula: C21H23FN4O2 MolecularWeight: 382.431323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O2/c1-15(2)12-20(27)24-18-6-7-19(23-14-18)25-8-10-26(11-9-25)21(28)16-4-3-5-17(22)13-16/h3-7,12-14H,8-11H2,1-2H3,(H,24,27)