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

Systemtic Name: methyl 3-[2-[5-cyclohexyl-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,3,4-benzotriazepin-3-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[5-cyclohexyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[5-cyclohexyl-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3,4-benzotriazepin-3-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[5-cyclohexyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[5-cyclohexyl-2-keto-1-(2-keto-2-pyrrolidino-ethyl)-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid methyl ester Formula: C30H35N5O5 MolecularWeight: 545.6294

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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)N5CCCC5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCC4)CC(=O)N5CCCC5

InChI

InChI=1S/C30H35N5O5/c1-40-29(38)22-12-9-13-23(18-22)31-26(36)19-35-30(39)34(20-27(37)33-16-7-8-17-33)25-15-6-5-14-24(25)28(32-35)21-10-3-2-4-11-21/h5-6,9,12-15,18,21H,2-4,7-8,10-11,16-17,19-20H2,1H3,(H,31,36)