2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-2-methyl-N-(4-morpholinophenyl)propanamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-2-methyl-N-[4-(4-morpholinyl)phenyl]propanamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-2-methyl-N-(4-morpholinophenyl)propionamide Formula: C28H31N7O3 MolecularWeight: 513.59084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC(C)(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C28H31N7O3/c1-28(2,27(37)30-22-9-11-23(12-10-22)33-14-16-38-17-15-33)34(19-21-6-5-13-29-18-21)26(36)20-35-25-8-4-3-7-24(25)31-32-35/h3-13,18H,14-17,19-20H2,1-2H3,(H,30,37)