ethyl 3-[1-[1-[(2-azanylpyridin-4-yl)methyl]piperidin-4-yl]carbonylpiperidin-4-yl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[1-[1-[(2-azanylpyridin-4-yl)methyl]piperidin-4-yl]carbonylpiperidin-4-yl]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[1-[1-[(2-amino-4-pyridyl)methyl]piperidine-4-carbonyl]-4-piperidyl]-1H-indole-2-carboxylate CAS Name: 3-[1-[[1-[(2-amino-4-pyridinyl)methyl]-4-piperidinyl]-oxomethyl]-4-piperidinyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[1-[1-[(2-aminopyridin-4-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-indole-2-carboxylate Traditional Name: 3-[1-[1-[(2-amino-4-pyridyl)methyl]isonipecotoyl]-4-piperidyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C28H35N5O3 MolecularWeight: 489.6092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)C3CCN(CC3)C(=O)C4CCN(CC4)CC5=CC(=NC=C5)N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)C3CCN(CC3)C(=O)C4CCN(CC4)CC5=CC(=NC=C5)N

InChI

InChI=1S/C28H35N5O3/c1-2-36-28(35)26-25(22-5-3-4-6-23(22)31-26)20-10-15-33(16-11-20)27(34)21-8-13-32(14-9-21)18-19-7-12-30-24(29)17-19/h3-7,12,17,20-21,31H,2,8-11,13-16,18H2,1H3,(H2,29,30)