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

Systemtic Name: methyl 3-[2-[5-cyclohexyl-2-oxidanylidene-1-(2-oxidanylidenepropyl)-1,3,4-benzotriazepin-3-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(1-acetonyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetyl]amino]benzoate CAS Name: 3-[[2-[5-cyclohexyl-2-oxo-1-(2-oxopropyl)-1,3,4-benzotriazepin-3-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[5-cyclohexyl-2-oxo-1-(2-oxopropyl)-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-(1-acetonyl-5-cyclohexyl-2-keto-1,3,4-benzotriazepin-3-yl)acetyl]amino]benzoic acid methyl ester Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O5/c1-18(32)16-30-23-14-7-6-13-22(23)25(19-9-4-3-5-10-19)29-31(27(30)35)17-24(33)28-21-12-8-11-20(15-21)26(34)36-2/h6-8,11-15,19H,3-5,9-10,16-17H2,1-2H3,(H,28,33)