3-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-pyridin-2-yl-indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-pyridin-2-yl-indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-2-(2-pyridyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-(2-pyridinyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-pyridin-2-ylindole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-[2-keto-2-(4-methylpiperazino)ethyl]-2-(2-pyridyl)indole-6-carboxylic acid Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=CC=N4)C5CCCCC5

Isomeric SMILES

CN1CCN(CC1)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=CC=N4)C5CCCCC5

InChI

InChI=1S/C27H32N4O3/c1-29-13-15-30(16-14-29)24(32)18-31-23-17-20(27(33)34)10-11-21(23)25(19-7-3-2-4-8-19)26(31)22-9-5-6-12-28-22/h5-6,9-12,17,19H,2-4,7-8,13-16,18H2,1H3,(H,33,34)