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

Systemtic Name: piperazin-1-yl 2-[4-(5-cyano-1-methyl-indol-3-yl)cyclohexyl]quinoline-6-carboxylate Openeye Name: piperazin-1-yl 2-[4-(5-cyano-1-methyl-indol-3-yl)cyclohexyl]quinoline-6-carboxylate CAS Name: 2-[4-(5-cyano-1-methyl-3-indolyl)cyclohexyl]-6-quinolinecarboxylic acid 1-piperazinyl ester IUPAC Name: piperazin-1-yl 2-[4-(5-cyano-1-methylindol-3-yl)cyclohexyl]quinoline-6-carboxylate Traditional Name: 2-[4-(5-cyano-1-methyl-indol-3-yl)cyclohexyl]quinoline-6-carboxylic acid piperazino ester 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=NC5=C(C=C4)C=C(C=C5)C(=O)ON6CCNCC6

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C#N)C3CCC(CC3)C4=NC5=C(C=C4)C=C(C=C5)C(=O)ON6CCNCC6

InChI

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