4-[4-[(2-fluorophenyl)carbonylamino]-2-morpholin-4-ylcarbonyl-phenyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[4-[(2-fluorophenyl)carbonylamino]-2-morpholin-4-ylcarbonyl-phenyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide Openeye Name: 4-[4-[(2-fluorobenzoyl)amino]-2-(morpholine-4-carbonyl)phenyl]-N-isopropyl-1,4-diazepane-1-carboxamide CAS Name: 4-[4-[[(2-fluorophenyl)-oxomethyl]amino]-2-[4-morpholinyl(oxo)methyl]phenyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[4-[(2-fluorobenzoyl)amino]-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-[4-[(2-fluorobenzoyl)amino]-2-(morpholine-4-carbonyl)phenyl]-N-isopropyl-1,4-diazepane-1-carboxamide Formula: C27H34FN5O4 MolecularWeight: 511.588363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N4CCOCC4

Isomeric SMILES

CC(C)NC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N4CCOCC4

InChI

InChI=1S/C27H34FN5O4/c1-19(2)29-27(36)33-11-5-10-31(12-13-33)24-9-8-20(30-25(34)21-6-3-4-7-23(21)28)18-22(24)26(35)32-14-16-37-17-15-32/h3-4,6-9,18-19H,5,10-17H2,1-2H3,(H,29,36)(H,30,34)