1-[2-(1-adamantylamino)-3-[4-(5-nitropyridin-2-yl)-2-oxidanyl-phenyl]propanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: 1-[2-(1-adamantylamino)-3-[4-(5-nitropyridin-2-yl)-2-oxidanyl-phenyl]propanoyl]pyrrolidine-2-carbonitrile Openeye Name: 1-[2-(1-adamantylamino)-3-[2-hydroxy-4-(5-nitro-2-pyridyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile CAS Name: 1-[2-(1-adamantylamino)-3-[2-hydroxy-4-(5-nitro-2-pyridinyl)phenyl]-1-oxopropyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-(1-adamantylamino)-3-[2-hydroxy-4-(5-nitropyridin-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[2-(1-adamantylamino)-3-[2-hydroxy-4-(5-nitro-2-pyridyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile Formula: C29H33N5O4 MolecularWeight: 515.60342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=C(C=C(C=C2)C3=NC=C(C=C3)[N+](=O)[O-])O)NC45CC6CC(C4)CC(C6)C5)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=C(C=C(C=C2)C3=NC=C(C=C3)[N+](=O)[O-])O)NC45CC6CC(C4)CC(C6)C5)C#N

InChI

InChI=1S/C29H33N5O4/c30-16-23-2-1-7-33(23)28(36)26(32-29-13-18-8-19(14-29)10-20(9-18)15-29)11-22-4-3-21(12-27(22)35)25-6-5-24(17-31-25)34(37)38/h3-6,12,17-20,23,26,32,35H,1-2,7-11,13-15H2