methyl 2-[4-(1H-indol-2-ylcarbonyl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: methyl 2-[4-(1H-indol-2-ylcarbonyl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 2-[4-[1H-indol-2-yl(oxo)methyl]-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 2-[4-(1H-indole-2-carbonyl)piperazino]nicotinic acid methyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C20H20N4O3/c1-27-20(26)15-6-4-8-21-18(15)23-9-11-24(12-10-23)19(25)17-13-14-5-2-3-7-16(14)22-17/h2-8,13,22H,9-12H2,1H3