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

Systemtic Name: methyl 8-[4-[4-(5-cyano-1-methyl-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline-6-carboxylate Openeye Name: methyl 8-[4-[4-(5-cyano-1-methyl-indol-3-yl)cyclohexyl]piperazin-1-yl]quinoline-6-carboxylate CAS Name: 8-[4-[4-(5-cyano-1-methyl-3-indolyl)cyclohexyl]-1-piperazinyl]-6-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 8-[4-[4-(5-cyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline-6-carboxylate Traditional Name: 8-[4-[4-(5-cyano-1-methyl-indol-3-yl)cyclohexyl]piperazino]quinoline-6-carboxylic acid methyl ester Formula: C31H33N5O2 MolecularWeight: 507.62602

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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)OC)C=CC=N6

Isomeric SMILES

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

InChI

InChI=1S/C31H33N5O2/c1-34-20-27(26-16-21(19-32)5-10-28(26)34)22-6-8-25(9-7-22)35-12-14-36(15-13-35)29-18-24(31(37)38-2)17-23-4-3-11-33-30(23)29/h3-5,10-11,16-18,20,22,25H,6-9,12-15H2,1-2H3