N-(1-adamantylmethyl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(1-adamantylmethyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(1-adamantylmethyl)-4-morpholino-3-nitro-benzamide CAS Name: N-(1-adamantylmethyl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(1-adamantylmethyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(1-adamantylmethyl)-4-morpholino-3-nitro-benzamide Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O4/c26-21(23-14-22-11-15-7-16(12-22)9-17(8-15)13-22)18-1-2-19(20(10-18)25(27)28)24-3-5-29-6-4-24/h1-2,10,15-17H,3-9,11-14H2,(H,23,26)