ethyl 4-[4-(3-chloranyl-2,2-dimethyl-propanoyl)-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(3-chloranyl-2,2-dimethyl-propanoyl)-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(3-chloro-2,2-dimethyl-propanoyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(3-chloro-2,2-dimethyl-1-oxopropyl)-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chloro-2,2-dimethylpropanoyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(3-chloro-2,2-dimethyl-propanoyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H35ClN4O4 MolecularWeight: 515.0442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C(C)(C)CCl)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C(C)(C)CCl)C3=CC=CC=C3

InChI

InChI=1S/C27H35ClN4O4/c1-6-11-20-21(25(34)36-7-2)22(30-23(29-20)19-12-9-8-10-13-19)24(33)31-14-15-32(18(3)16-31)26(35)27(4,5)17-28/h8-10,12-13,18H,6-7,11,14-17H2,1-5H3