2-[3-(2H-benzotriazol-5-ylcarbamoylamino)-5-(2-methylphenyl)-2-oxidanylidene-7-phenyl-azepan-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[3-(2H-benzotriazol-5-ylcarbamoylamino)-5-(2-methylphenyl)-2-oxidanylidene-7-phenyl-azepan-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[3-(2H-benzotriazol-5-ylcarbamoylamino)-5-(o-tolyl)-2-oxo-7-phenyl-azepan-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[3-[[(2H-benzotriazol-5-ylamino)-oxomethyl]amino]-5-(2-methylphenyl)-2-oxo-7-phenyl-1-azepanyl]-N-tert-butylacetamide IUPAC Name: 2-[3-(2H-benzotriazol-5-ylcarbamoylamino)-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide Traditional Name: 2-[3-(2H-benzotriazol-5-ylcarbamoylamino)-2-keto-5-(o-tolyl)-7-phenyl-azepan-1-yl]-N-tert-butyl-acetamide Formula: C32H37N7O3 MolecularWeight: 567.68128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC(C(=O)N(C(C2)C3=CC=CC=C3)CC(=O)NC(C)(C)C)NC(=O)NC4=CC5=NNN=C5C=C4

Isomeric SMILES

CC1=CC=CC=C1C2CC(C(=O)N(C(C2)C3=CC=CC=C3)CC(=O)NC(C)(C)C)NC(=O)NC4=CC5=NNN=C5C=C4

InChI

InChI=1S/C32H37N7O3/c1-20-10-8-9-13-24(20)22-16-27(34-31(42)33-23-14-15-25-26(18-23)37-38-36-25)30(41)39(19-29(40)35-32(2,3)4)28(17-22)21-11-6-5-7-12-21/h5-15,18,22,27-28H,16-17,19H2,1-4H3,(H,35,40)(H2,33,34,42)(H,36,37,38)