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

Systemtic Name: N-(2-fluorophenyl)-4-[2-morpholin-4-ylcarbonyl-4-(propylcarbamoylamino)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-fluorophenyl)-4-[2-(morpholine-4-carbonyl)-4-(propylcarbamoylamino)phenyl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-fluorophenyl)-4-[2-[4-morpholinyl(oxo)methyl]-4-[[oxo(propylamino)methyl]amino]phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-fluorophenyl)-4-[2-(morpholine-4-carbonyl)-4-(propylcarbamoylamino)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-fluorophenyl)-4-[2-(morpholine-4-carbonyl)-4-(propylcarbamoylamino)phenyl]-1,4-diazepane-1-carboxamide Formula: C27H35FN6O4 MolecularWeight: 526.603003

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=CC(=C(C=C1)N2CCCN(CC2)C(=O)NC3=CC=CC=C3F)C(=O)N4CCOCC4

Isomeric SMILES

CCCNC(=O)NC1=CC(=C(C=C1)N2CCCN(CC2)C(=O)NC3=CC=CC=C3F)C(=O)N4CCOCC4

InChI

InChI=1S/C27H35FN6O4/c1-2-10-29-26(36)30-20-8-9-24(21(19-20)25(35)33-15-17-38-18-16-33)32-11-5-12-34(14-13-32)27(37)31-23-7-4-3-6-22(23)28/h3-4,6-9,19H,2,5,10-18H2,1H3,(H,31,37)(H2,29,30,36)