3-[4-(5-cyano-1-methyl-indol-3-yl)cyclohexyl]-2-piperazin-1-yl-quinoline-6-carboxylic acid

Systemtic Name: 3-[4-(5-cyano-1-methyl-indol-3-yl)cyclohexyl]-2-piperazin-1-yl-quinoline-6-carboxylic acid Openeye Name: 3-[4-(5-cyano-1-methyl-indol-3-yl)cyclohexyl]-2-piperazin-1-yl-quinoline-6-carboxylic acid CAS Name: 3-[4-(5-cyano-1-methyl-3-indolyl)cyclohexyl]-2-(1-piperazinyl)-6-quinolinecarboxylic acid IUPAC Name: 3-[4-(5-cyano-1-methylindol-3-yl)cyclohexyl]-2-piperazin-1-ylquinoline-6-carboxylic acid Traditional Name: 3-[4-(5-cyano-1-methyl-indol-3-yl)cyclohexyl]-2-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)C4=C(N=C5C=CC(=CC5=C4)C(=O)O)N6CCNCC6

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C#N)C3CCC(CC3)C4=C(N=C5C=CC(=CC5=C4)C(=O)O)N6CCNCC6

InChI

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