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

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-2-methyl-N-(4-morpholin-4-ylphenyl)butanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-2-methyl-N-(4-morpholinophenyl)butanamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-2-methyl-N-[4-(4-morpholinyl)phenyl]butanamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-methyl-N-(4-morpholin-4-ylphenyl)butanamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-2-methyl-N-(4-morpholinophenyl)butyramide Formula: C29H33N7O3 MolecularWeight: 527.61742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N7O3/c1-3-29(2,28(38)31-23-10-12-24(13-11-23)34-15-17-39-18-16-34)35(20-22-7-6-14-30-19-22)27(37)21-36-26-9-5-4-8-25(26)32-33-36/h4-14,19H,3,15-18,20-21H2,1-2H3,(H,31,38)