2-[3-(2H-benzotriazol-5-ylcarbamoylamino)-5-(2-methylphenyl)-2-oxidanylidene-7-phenyl-cycloheptyl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[3-(2H-benzotriazol-5-ylcarbamoylamino)-5-(2-methylphenyl)-2-oxidanylidene-7-phenyl-cycloheptyl]-N-tert-butyl-ethanamide Openeye Name: 2-[3-(2H-benzotriazol-5-ylcarbamoylamino)-5-(o-tolyl)-2-oxo-7-phenyl-cycloheptyl]-N-tert-butyl-acetamide CAS Name: 2-[3-[[(2H-benzotriazol-5-ylamino)-oxomethyl]amino]-5-(2-methylphenyl)-2-oxo-7-phenylcycloheptyl]-N-tert-butylacetamide IUPAC Name: 2-[3-(2H-benzotriazol-5-ylcarbamoylamino)-5-(2-methylphenyl)-2-oxo-7-phenylcycloheptyl]-N-tert-butylacetamide Traditional Name: 2-[3-(2H-benzotriazol-5-ylcarbamoylamino)-2-keto-5-(o-tolyl)-7-phenyl-cycloheptyl]-N-tert-butyl-acetamide Formula: C33H38N6O3 MolecularWeight: 566.69322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC(C(C(=O)C(C2)NC(=O)NC3=CC4=NNN=C4C=C3)CC(=O)NC(C)(C)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2CC(C(C(=O)C(C2)NC(=O)NC3=CC4=NNN=C4C=C3)CC(=O)NC(C)(C)C)C5=CC=CC=C5

InChI

InChI=1S/C33H38N6O3/c1-20-10-8-9-13-24(20)22-16-25(21-11-6-5-7-12-21)26(19-30(40)36-33(2,3)4)31(41)29(17-22)35-32(42)34-23-14-15-27-28(18-23)38-39-37-27/h5-15,18,22,25-26,29H,16-17,19H2,1-4H3,(H,36,40)(H2,34,35,42)(H,37,38,39)