2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-dimethylaminophenyl)-2-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-dimethylaminophenyl)-2-(3-fluorophenyl)ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-dimethylaminophenyl)-2-(3-fluorophenyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-N-(4-dimethylaminophenyl)-2-(3-fluorophenyl)acetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-(4-dimethylaminophenyl)-2-(3-fluorophenyl)acetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-dimethylaminophenyl)-2-(3-fluorophenyl)acetamide Formula: C30H28FN7O2 MolecularWeight: 537.587423

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)C(C2=CC(=CC=C2)F)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)C(C2=CC(=CC=C2)F)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C30H28FN7O2/c1-36(2)25-14-12-24(13-15-25)33-30(40)29(22-8-5-9-23(31)17-22)37(19-21-7-6-16-32-18-21)28(39)20-38-27-11-4-3-10-26(27)34-35-38/h3-18,29H,19-20H2,1-2H3,(H,33,40)