methyl 4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazine-1-carbonyl]benzoate CAS Name: 4-[oxo-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(6-piperidinopyrimidin-4-yl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C22H27N5O3 MolecularWeight: 409.48148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

InChI

InChI=1S/C22H27N5O3/c1-30-22(29)18-7-5-17(6-8-18)21(28)27-13-11-26(12-14-27)20-15-19(23-16-24-20)25-9-3-2-4-10-25/h5-8,15-16H,2-4,9-14H2,1H3