methyl 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzoate CAS Name: 2-[oxo-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzoate Traditional Name: 2-[4-(6-pyrrolidinopyrimidin-4-yl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C21H25N5O3/c1-29-21(28)17-7-3-2-6-16(17)20(27)26-12-10-25(11-13-26)19-14-18(22-15-23-19)24-8-4-5-9-24/h2-3,6-7,14-15H,4-5,8-13H2,1H3