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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H33N7O3/c1-21(2)28(29(38)31-23-9-11-24(12-10-23)34-14-16-39-17-15-34)35(19-22-6-5-13-30-18-22)27(37)20-36-26-8-4-3-7-25(26)32-33-36/h3-13,18,21,28H,14-17,19-20H2,1-2H3,(H,31,38)