(2R)-2-[2-(benzotriazol-1-yl)ethanoyl-quinolin-3-yl-amino]-N-cyclohexyl-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[2-(benzotriazol-1-yl)ethanoyl-quinolin-3-yl-amino]-N-cyclohexyl-2-phenyl-ethanamide Openeye Name: (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-N-cyclohexyl-2-phenyl-acetamide CAS Name: (2R)-2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-quinolinyl)amino]-N-cyclohexyl-2-phenylacetamide IUPAC Name: (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-quinolin-3-ylamino]-N-cyclohexyl-2-phenylacetamide Traditional Name: (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-N-cyclohexyl-2-phenyl-acetamide Formula: C31H30N6O2 MolecularWeight: 518.6089

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)N(C3=CC4=CC=CC=C4N=C3)C(=O)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@@H](C2=CC=CC=C2)N(C3=CC4=CC=CC=C4N=C3)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C31H30N6O2/c38-29(21-36-28-18-10-9-17-27(28)34-35-36)37(25-19-23-13-7-8-16-26(23)32-20-25)30(22-11-3-1-4-12-22)31(39)33-24-14-5-2-6-15-24/h1,3-4,7-13,16-20,24,30H,2,5-6,14-15,21H2,(H,33,39)/t30-/m1/s1