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

Systemtic Name: methyl 5-azanyl-3,5-dimethyl-4-(3-methylbutanoyl)-6-[4-(3-nitrophenyl)pyridin-3-yl]carbonyl-1-pyridin-2-yl-piperazine-2-carboxylate Openeye Name: methyl 5-amino-3,5-dimethyl-4-(3-methylbutanoyl)-6-[4-(3-nitrophenyl)pyridine-3-carbonyl]-1-(2-pyridyl)piperazine-2-carboxylate CAS Name: 5-amino-3,5-dimethyl-4-(3-methyl-1-oxobutyl)-6-[[4-(3-nitrophenyl)-3-pyridinyl]-oxomethyl]-1-(2-pyridinyl)-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-3,5-dimethyl-4-(3-methylbutanoyl)-6-[4-(3-nitrophenyl)pyridine-3-carbonyl]-1-pyridin-2-ylpiperazine-2-carboxylate Traditional Name: 5-amino-4-isovaleryl-3,5-dimethyl-6-[4-(3-nitrophenyl)nicotinoyl]-1-(2-pyridyl)piperazine-2-carboxylic acid methyl ester Formula: C30H34N6O6 MolecularWeight: 574.62756

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C(C(N1C(=O)CC(C)C)(C)N)C(=O)C2=C(C=CN=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=N4)C(=O)OC

Isomeric SMILES

CC1C(N(C(C(N1C(=O)CC(C)C)(C)N)C(=O)C2=C(C=CN=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=N4)C(=O)OC

InChI

InChI=1S/C30H34N6O6/c1-18(2)15-25(37)35-19(3)26(29(39)42-5)34(24-11-6-7-13-33-24)28(30(35,4)31)27(38)23-17-32-14-12-22(23)20-9-8-10-21(16-20)36(40)41/h6-14,16-19,26,28H,15,31H2,1-5H3