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

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)-2-phenyl-ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-morpholinophenyl)-2-phenyl-acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-N-[4-(4-morpholinyl)phenyl]-2-phenylacetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)-2-phenylacetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-morpholinophenyl)-2-phenyl-acetamide Formula: C32H31N7O3 MolecularWeight: 561.63364

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)N(CC4=CN=CC=C4)C(=O)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)N(CC4=CN=CC=C4)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C32H31N7O3/c40-30(23-39-29-11-5-4-10-28(29)35-36-39)38(22-24-7-6-16-33-21-24)31(25-8-2-1-3-9-25)32(41)34-26-12-14-27(15-13-26)37-17-19-42-20-18-37/h1-16,21,31H,17-20,22-23H2,(H,34,41)