2-[5-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoic acid

Systemtic Name: 2-[5-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoic acid Openeye Name: 2-[5-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid CAS Name: 2-[5-cyclohexyl-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid IUPAC Name: 2-[5-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid Traditional Name: 2-[5-cyclohexyl-2-keto-1-[2-keto-2-(4-methylpiperazino)ethyl]-1,3,4-benzotriazepin-3-yl]acetic acid Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CN2C3=CC=CC=C3C(=NN(C2=O)CC(=O)O)C4CCCCC4

Isomeric SMILES

CN1CCN(CC1)C(=O)CN2C3=CC=CC=C3C(=NN(C2=O)CC(=O)O)C4CCCCC4

InChI

InChI=1S/C23H31N5O4/c1-25-11-13-26(14-12-25)20(29)15-27-19-10-6-5-9-18(19)22(17-7-3-2-4-8-17)24-28(23(27)32)16-21(30)31/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H,30,31)