3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxidanylidene-ethyl]-2-pyrimidin-5-yl-indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxidanylidene-ethyl]-2-pyrimidin-5-yl-indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[2-[4-(dimethylamino)-1-piperidyl]-2-oxo-ethyl]-2-pyrimidin-5-yl-indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-[4-(dimethylamino)-1-piperidinyl]-2-oxoethyl]-2-(5-pyrimidinyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidino]-2-keto-ethyl]-2-(5-pyrimidyl)indole-6-carboxylic acid Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCN(CC1)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CN=CN=C4)C5CCCCC5

Isomeric SMILES

CN(C)C1CCN(CC1)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CN=CN=C4)C5CCCCC5

InChI

InChI=1S/C28H35N5O3/c1-31(2)22-10-12-32(13-11-22)25(34)17-33-24-14-20(28(35)36)8-9-23(24)26(19-6-4-3-5-7-19)27(33)21-15-29-18-30-16-21/h8-9,14-16,18-19,22H,3-7,10-13,17H2,1-2H3,(H,35,36)