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

Systemtic Name: N-[6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-methyl-but-2-enamide Openeye Name: N-[6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-3-methyl-but-2-enamide CAS Name: N-[6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-methyl-2-butenamide IUPAC Name: N-[6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-methylbut-2-enamide Traditional Name: N-[6-[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-methyl-but-2-enamide Formula: C22H27FN4O MolecularWeight: 382.474383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC(=CC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H27FN4O/c1-17(2)14-22(28)25-20-8-9-21(24-15-20)27-11-3-10-26(12-13-27)16-18-4-6-19(23)7-5-18/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,25,28)