N-[6-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[6-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2,2-dimethyl-propanamide Openeye Name: N-[6-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-2,2-dimethyl-propanamide CAS Name: N-[6-[4-[(3-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide IUPAC Name: N-[6-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2,2-dimethylpropanamide Traditional Name: N-[6-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-2,2-dimethyl-propionamide Formula: C22H27FN4O2 MolecularWeight: 398.473783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN4O2/c1-22(2,3)21(29)25-18-8-9-19(24-15-18)26-10-5-11-27(13-12-26)20(28)16-6-4-7-17(23)14-16/h4,6-9,14-15H,5,10-13H2,1-3H3,(H,25,29)