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

Systemtic Name: N-[6-[4-(2-fluorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2,2-dimethyl-propanamide Openeye Name: N-[6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-2,2-dimethyl-propanamide CAS Name: N-[6-[4-[(2-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide IUPAC Name: N-[6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2,2-dimethylpropanamide Traditional Name: N-[6-[4-(2-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=C3F

Isomeric SMILES

CC(C)(C)C(=O)NC1=CN=C(C=C1)N2CCCN(CC2)C(=O)C3=CC=CC=C3F

InChI

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