ethyl 3-[1-[1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-4-yl]carbonylpiperidin-4-yl]-1-methyl-indole-2-carboxylate

Systemtic Name: ethyl 3-[1-[1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-4-yl]carbonylpiperidin-4-yl]-1-methyl-indole-2-carboxylate Openeye Name: ethyl 3-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]-4-piperidyl]-1-methyl-indole-2-carboxylate CAS Name: 3-[1-[[1-[(2-amino-5-pyrimidinyl)methyl]-4-piperidinyl]-oxomethyl]-4-piperidinyl]-1-methyl-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1-methylindole-2-carboxylate Traditional Name: 3-[1-[1-[(2-aminopyrimidin-5-yl)methyl]isonipecotoyl]-4-piperidyl]-1-methyl-indole-2-carboxylic acid ethyl ester Formula: C28H36N6O3 MolecularWeight: 504.62384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1C)C3CCN(CC3)C(=O)C4CCN(CC4)CC5=CN=C(N=C5)N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1C)C3CCN(CC3)C(=O)C4CCN(CC4)CC5=CN=C(N=C5)N

InChI

InChI=1S/C28H36N6O3/c1-3-37-27(36)25-24(22-6-4-5-7-23(22)32(25)2)20-10-14-34(15-11-20)26(35)21-8-12-33(13-9-21)18-19-16-30-28(29)31-17-19/h4-7,16-17,20-21H,3,8-15,18H2,1-2H3,(H2,29,30,31)