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

Systemtic Name: N-[6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyridin-3-yl]-3-methyl-but-2-enamide Openeye Name: N-[6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridyl]-3-methyl-but-2-enamide CAS Name: N-[6-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-3-pyridinyl]-3-methyl-2-butenamide IUPAC Name: N-[6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyridin-3-yl]-3-methylbut-2-enamide Traditional Name: N-[6-[4-(4-fluorobenzyl)piperazino]-3-pyridyl]-3-methyl-but-2-enamide Formula: C21H25FN4O MolecularWeight: 368.447803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CN=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC(=CC(=O)NC1=CN=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H25FN4O/c1-16(2)13-21(27)24-19-7-8-20(23-14-19)26-11-9-25(10-12-26)15-17-3-5-18(22)6-4-17/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,27)