methyl 4-[4-(5-chloranyl-1-methyl-indol-3-yl)piperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[4-(5-chloranyl-1-methyl-indol-3-yl)piperidin-1-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[4-(5-chloro-1-methyl-indol-3-yl)-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[4-(5-chloro-1-methyl-3-indolyl)-1-piperidinyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(5-chloro-1-methylindol-3-yl)piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(5-chloro-1-methyl-indol-3-yl)piperidino]piperidine-1-carboxylic acid methyl ester Formula: C21H28ClN3O2 MolecularWeight: 389.91892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)Cl)C3CCN(CC3)C4CCN(CC4)C(=O)OC

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)Cl)C3CCN(CC3)C4CCN(CC4)C(=O)OC

InChI

InChI=1S/C21H28ClN3O2/c1-23-14-19(18-13-16(22)3-4-20(18)23)15-5-9-24(10-6-15)17-7-11-25(12-8-17)21(26)27-2/h3-4,13-15,17H,5-12H2,1-2H3