N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-nitro-4-pyrrolidino-benzamide Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])C

InChI

InChI=1S/C23H31N3O3/c1-21-10-16-11-22(2,13-21)15-23(12-16,14-21)24-20(27)17-5-6-18(19(9-17)26(28)29)25-7-3-4-8-25/h5-6,9,16H,3-4,7-8,10-15H2,1-2H3,(H,24,27)/t16?,21-,22+,23?