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

Systemtic Name: ethyl 4-[4-(3,4-dichlorophenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(3,4-dichlorobenzoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(3,4-dichlorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,4-dichlorobenzoyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(3,4-dichlorobenzoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H28Cl2N4O4 MolecularWeight: 507.40952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28Cl2N4O4/c1-5-7-19-20(24(33)34-6-2)21(28-15(4)27-19)23(32)29-10-11-30(14(3)13-29)22(31)16-8-9-17(25)18(26)12-16/h8-9,12,14H,5-7,10-11,13H2,1-4H3