N-(3-methyl-2-phenyl-butyl)-4-(6-nitropyridin-3-yl)piperazine-1-carboxamide

Systemtic Name: N-(3-methyl-2-phenyl-butyl)-4-(6-nitropyridin-3-yl)piperazine-1-carboxamide Openeye Name: N-(3-methyl-2-phenyl-butyl)-4-(6-nitro-3-pyridyl)piperazine-1-carboxamide CAS Name: N-(3-methyl-2-phenylbutyl)-4-(6-nitro-3-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-(3-methyl-2-phenylbutyl)-4-(6-nitropyridin-3-yl)piperazine-1-carboxamide Traditional Name: N-(3-methyl-2-phenyl-butyl)-4-(6-nitro-3-pyridyl)piperazine-1-carboxamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)N1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CNC(=O)N1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O3/c1-16(2)19(17-6-4-3-5-7-17)15-23-21(27)25-12-10-24(11-13-25)18-8-9-20(22-14-18)26(28)29/h3-9,14,16,19H,10-13,15H2,1-2H3,(H,23,27)