N-[(1S)-1-(1-adamantyl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)ethyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)ethyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)ethyl]-5-nitro-2-pyrrolidino-benzamide Formula: C23H31N3O3 MolecularWeight: 397.51054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCC5

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCC5

InChI

InChI=1S/C23H31N3O3/c1-15(23-12-16-8-17(13-23)10-18(9-16)14-23)24-22(27)20-11-19(26(28)29)4-5-21(20)25-6-2-3-7-25/h4-5,11,15-18H,2-3,6-10,12-14H2,1H3,(H,24,27)/t15-,16?,17?,18?,23?/m0/s1