methyl 5-azanyl-4-ethanoyl-3,5-dimethyl-6-[4-(3-nitrophenyl)pyridin-3-yl]carbonyl-1-phenyl-piperazine-2-carboxylate

Systemtic Name: methyl 5-azanyl-4-ethanoyl-3,5-dimethyl-6-[4-(3-nitrophenyl)pyridin-3-yl]carbonyl-1-phenyl-piperazine-2-carboxylate Openeye Name: methyl 4-acetyl-5-amino-3,5-dimethyl-6-[4-(3-nitrophenyl)pyridine-3-carbonyl]-1-phenyl-piperazine-2-carboxylate CAS Name: 4-acetyl-5-amino-3,5-dimethyl-6-[[4-(3-nitrophenyl)-3-pyridinyl]-oxomethyl]-1-phenyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-acetyl-5-amino-3,5-dimethyl-6-[4-(3-nitrophenyl)pyridine-3-carbonyl]-1-phenylpiperazine-2-carboxylate Traditional Name: 4-acetyl-5-amino-3,5-dimethyl-6-[4-(3-nitrophenyl)nicotinoyl]-1-phenyl-piperazine-2-carboxylic acid methyl ester Formula: C28H29N5O6 MolecularWeight: 531.55976

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C(C(N1C(=O)C)(C)N)C(=O)C2=C(C=CN=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1C(N(C(C(N1C(=O)C)(C)N)C(=O)C2=C(C=CN=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)OC

InChI

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