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

Systemtic Name: ethyl 4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-isopropyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-phenyl-6-propan-2-yl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-isopropyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H29N5O5 MolecularWeight: 503.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(C)C)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(C)C)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H29N5O5/c1-4-37-27(34)22-23(18(2)3)28-25(19-8-6-5-7-9-19)29-24(22)26(33)31-16-14-30(15-17-31)20-10-12-21(13-11-20)32(35)36/h5-13,18H,4,14-17H2,1-3H3