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

Systemtic Name: methyl 3-[2-[5-cyclohexyl-1-(2-cyclohexyl-2-oxidanylidene-ethyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[5-cyclohexyl-1-(2-cyclohexyl-2-oxo-ethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[5-cyclohexyl-1-(2-cyclohexyl-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[5-cyclohexyl-1-(2-cyclohexyl-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[5-cyclohexyl-1-(2-cyclohexyl-2-keto-ethyl)-2-keto-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid methyl ester Formula: C32H38N4O5 MolecularWeight: 558.66792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCC4)CC(=O)C5CCCCC5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCC4)CC(=O)C5CCCCC5

InChI

InChI=1S/C32H38N4O5/c1-41-31(39)24-15-10-16-25(19-24)33-29(38)21-36-32(40)35(20-28(37)22-11-4-2-5-12-22)27-18-9-8-17-26(27)30(34-36)23-13-6-3-7-14-23/h8-10,15-19,22-23H,2-7,11-14,20-21H2,1H3,(H,33,38)