[1-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperidin-3-yl]methyl 4-(1H-indol-4-yl)piperazine-1-carboxylate

Systemtic Name: [1-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperidin-3-yl]methyl 4-(1H-indol-4-yl)piperazine-1-carboxylate Openeye Name: [1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-piperidyl]methyl 4-(1H-indol-4-yl)piperazine-1-carboxylate CAS Name: 4-(1H-indol-4-yl)-1-piperazinecarboxylic acid [1-[(2-fluoro-5-methoxyphenyl)methyl]-3-piperidinyl]methyl ester IUPAC Name: [1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methyl 4-(1H-indol-4-yl)piperazine-1-carboxylate Traditional Name: 4-(1H-indol-4-yl)piperazine-1-carboxylic acid [1-(2-fluoro-5-methoxy-benzyl)-3-piperidyl]methyl ester Formula: C27H33FN4O3 MolecularWeight: 480.574323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)CN2CCCC(C2)COC(=O)N3CCN(CC3)C4=CC=CC5=C4C=CN5

Isomeric SMILES

COC1=CC(=C(C=C1)F)CN2CCCC(C2)COC(=O)N3CCN(CC3)C4=CC=CC5=C4C=CN5

InChI

InChI=1S/C27H33FN4O3/c1-34-22-7-8-24(28)21(16-22)18-30-11-3-4-20(17-30)19-35-27(33)32-14-12-31(13-15-32)26-6-2-5-25-23(26)9-10-29-25/h2,5-10,16,20,29H,3-4,11-15,17-19H2,1H3