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

Systemtic Name: N-(1-adamantylmethyl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(1-adamantylmethyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(1-adamantylmethyl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(1-adamantylmethyl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(1-adamantylmethyl)-3-nitro-4-piperidino-benzamide Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C23H31N3O3/c27-22(24-15-23-12-16-8-17(13-23)10-18(9-16)14-23)19-4-5-20(21(11-19)26(28)29)25-6-2-1-3-7-25/h4-5,11,16-18H,1-3,6-10,12-15H2,(H,24,27)