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

Systemtic Name: methyl 3-[2-[5-cyclohexyl-1-(3-methylbutyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(5-cyclohexyl-1-isopentyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetyl]amino]benzoate CAS Name: 3-[[2-[5-cyclohexyl-1-(3-methylbutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[5-cyclohexyl-1-(3-methylbutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-(5-cyclohexyl-1-isoamyl-2-keto-1,3,4-benzotriazepin-3-yl)acetyl]amino]benzoic acid methyl ester Formula: C29H36N4O4 MolecularWeight: 504.62054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)OC)C4CCCCC4

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)OC)C4CCCCC4

InChI

InChI=1S/C29H36N4O4/c1-20(2)16-17-32-25-15-8-7-14-24(25)27(21-10-5-4-6-11-21)31-33(29(32)36)19-26(34)30-23-13-9-12-22(18-23)28(35)37-3/h7-9,12-15,18,20-21H,4-6,10-11,16-17,19H2,1-3H3,(H,30,34)