8-[4-[4-(5-cyano-1-methyl-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline-6-carboxylic acid

Systemtic Name: 8-[4-[4-(5-cyano-1-methyl-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline-6-carboxylic acid Openeye Name: 8-[4-[4-(5-cyano-1-methyl-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline-6-carboxylic acid CAS Name: 8-[4-[4-(5-cyano-1-methyl-3-indolyl)cyclohexyl]-1-piperazinyl]-6-quinolinecarboxylic acid IUPAC Name: 8-[4-[4-(5-cyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline-6-carboxylic acid Traditional Name: 8-[4-[4-(5-cyano-1-methyl-indol-3-yl)cyclohexyl]piperazino]quinoline-6-carboxylic acid Formula: C30H31N5O2 MolecularWeight: 493.59944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C#N)C3CCC(CC3)N4CCN(CC4)C5=C6C(=CC(=C5)C(=O)O)C=CC=N6

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C#N)C3CCC(CC3)N4CCN(CC4)C5=C6C(=CC(=C5)C(=O)O)C=CC=N6

InChI

InChI=1S/C30H31N5O2/c1-33-19-26(25-15-20(18-31)4-9-27(25)33)21-5-7-24(8-6-21)34-11-13-35(14-12-34)28-17-23(30(36)37)16-22-3-2-10-32-29(22)28/h2-4,9-10,15-17,19,21,24H,5-8,11-14H2,1H3,(H,36,37)