2-[2-(benzotriazol-1-yl)ethanoyl-quinolin-3-yl-amino]-2-(4-morpholin-4-ylphenyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-quinolin-3-yl-amino]-2-(4-morpholin-4-ylphenyl)-N-(phenylmethyl)ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-N-benzyl-2-(4-morpholinophenyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-quinolinyl)amino]-2-[4-(4-morpholinyl)phenyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-quinolin-3-ylamino]-N-benzyl-2-(4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-N-benzyl-2-(4-morpholinophenyl)acetamide Formula: C36H33N7O3 MolecularWeight: 611.69232

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C(C(=O)NCC3=CC=CC=C3)N(C4=CC5=CC=CC=C5N=C4)C(=O)CN6C7=CC=CC=C7N=N6

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C(C(=O)NCC3=CC=CC=C3)N(C4=CC5=CC=CC=C5N=C4)C(=O)CN6C7=CC=CC=C7N=N6

InChI

InChI=1S/C36H33N7O3/c44-34(25-42-33-13-7-6-12-32(33)39-40-42)43(30-22-28-10-4-5-11-31(28)37-24-30)35(36(45)38-23-26-8-2-1-3-9-26)27-14-16-29(17-15-27)41-18-20-46-21-19-41/h1-17,22,24,35H,18-21,23,25H2,(H,38,45)