N-[(1R)-1-(1-adamantyl)ethyl]-3-nitro-4-piperazin-1-yl-benzamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-nitro-4-piperazin-1-yl-benzamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-nitro-4-piperazin-1-yl-benzamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-nitro-4-(1-piperazinyl)benzamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-nitro-4-piperazin-1-ylbenzamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-nitro-4-piperazino-benzamide Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4)N5CCNCC5)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4)N5CCNCC5)[N+](=O)[O-]

InChI

InChI=1S/C23H32N4O3/c1-15(23-12-16-8-17(13-23)10-18(9-16)14-23)25-22(28)19-2-3-20(21(11-19)27(29)30)26-6-4-24-5-7-26/h2-3,11,15-18,24H,4-10,12-14H2,1H3,(H,25,28)/t15-,16?,17?,18?,23?/m1/s1