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

Systemtic Name: N-[6-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-methyl-but-2-enamide Openeye Name: N-[6-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-methyl-but-2-enamide CAS Name: N-[6-[4-[(3-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-methyl-2-butenamide IUPAC Name: N-[6-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-methylbut-2-enamide Traditional Name: N-[6-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-methyl-but-2-enamide Formula: C22H25FN4O2 MolecularWeight: 396.457903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4O2/c1-16(2)13-21(28)25-19-7-8-20(24-15-19)26-9-4-10-27(12-11-26)22(29)17-5-3-6-18(23)14-17/h3,5-8,13-15H,4,9-12H2,1-2H3,(H,25,28)