methyl 4-[3-methyl-4-(3-nitrophenyl)carbonyl-piperazin-1-yl]carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[3-methyl-4-(3-nitrophenyl)carbonyl-piperazin-1-yl]carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-isopropyl-6-[3-methyl-4-(3-nitrobenzoyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-phenyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-methyl-4-(3-nitrobenzoyl)piperazine-1-carbonyl]-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-isopropyl-6-[3-methyl-4-(3-nitrobenzoyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C28H29N5O6 MolecularWeight: 531.55976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C(C)C)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C(C)C)C(=O)OC

InChI

InChI=1S/C28H29N5O6/c1-17(2)23-22(28(36)39-4)24(30-25(29-23)19-9-6-5-7-10-19)27(35)31-13-14-32(18(3)16-31)26(34)20-11-8-12-21(15-20)33(37)38/h5-12,15,17-18H,13-14,16H2,1-4H3