methyl 3-[2-(5-cyclohexyl-1-methyl-2-oxidanylidene-1,3,4-benzotriazepin-3-yl)ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(5-cyclohexyl-1-methyl-2-oxidanylidene-1,3,4-benzotriazepin-3-yl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(5-cyclohexyl-1-methyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetyl]amino]benzoate CAS Name: 3-[[2-(5-cyclohexyl-1-methyl-2-oxo-1,3,4-benzotriazepin-3-yl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(5-cyclohexyl-1-methyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(5-cyclohexyl-2-keto-1-methyl-1,3,4-benzotriazepin-3-yl)acetyl]amino]benzoic acid methyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)OC)C4CCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)OC)C4CCCCC4

InChI

InChI=1S/C25H28N4O4/c1-28-21-14-7-6-13-20(21)23(17-9-4-3-5-10-17)27-29(25(28)32)16-22(30)26-19-12-8-11-18(15-19)24(31)33-2/h6-8,11-15,17H,3-5,9-10,16H2,1-2H3,(H,26,30)