N-(1-adamantyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(1-adamantyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(1-adamantyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(1-adamantyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(1-adamantyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(1-adamantyl)-3-nitro-4-pyrrolidino-benzamide Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O3/c25-20(22-21-11-14-7-15(12-21)9-16(8-14)13-21)17-3-4-18(19(10-17)24(26)27)23-5-1-2-6-23/h3-4,10,14-16H,1-2,5-9,11-13H2,(H,22,25)