2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]-N-(3-imidazol-1-ylphenyl)ethanamide

Systemtic Name: 2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]-N-(3-imidazol-1-ylphenyl)ethanamide Openeye Name: 2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-N-(3-imidazol-1-ylphenyl)acetamide CAS Name: 2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-N-[3-(1-imidazolyl)phenyl]acetamide IUPAC Name: 2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-N-(3-imidazol-1-ylphenyl)acetamide Traditional Name: 2-[5-cyclohexyl-2-keto-1-(2-keto-3,3-dimethyl-butyl)-1,3,4-benzotriazepin-3-yl]-N-(3-imidazol-1-ylphenyl)acetamide Formula: C31H36N6O3 MolecularWeight: 540.65594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)N4C=CN=C4)C5CCCCC5

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)N4C=CN=C4)C5CCCCC5

InChI

InChI=1S/C31H36N6O3/c1-31(2,3)27(38)19-36-26-15-8-7-14-25(26)29(22-10-5-4-6-11-22)34-37(30(36)40)20-28(39)33-23-12-9-13-24(18-23)35-17-16-32-21-35/h7-9,12-18,21-22H,4-6,10-11,19-20H2,1-3H3,(H,33,39)