2-[2-(benzotriazol-1-yl)ethanoyl-[(2-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-[(2-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(4-morpholinophenyl)propanamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-[(2-fluorophenyl)methyl]amino]-N-[4-(4-morpholinyl)phenyl]propanamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(2-fluorobenzyl)amino]-N-(4-morpholinophenyl)propionamide Formula: C28H29FN6O3 MolecularWeight: 516.566663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N(CC3=CC=CC=C3F)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N(CC3=CC=CC=C3F)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C28H29FN6O3/c1-20(28(37)30-22-10-12-23(13-11-22)33-14-16-38-17-15-33)34(18-21-6-2-3-7-24(21)29)27(36)19-35-26-9-5-4-8-25(26)31-32-35/h2-13,20H,14-19H2,1H3,(H,30,37)