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

Systemtic Name: N-[(3S,5R)-3,5-dimethyl-1-adamantyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[(3S,5R)-3,5-dimethyl-1-adamantyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[(3S,5R)-3,5-dimethyl-1-adamantyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[(3S,5R)-3,5-dimethyl-1-adamantyl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[(3S,5R)-3,5-dimethyl-1-adamantyl]-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C24H34N4O3 MolecularWeight: 426.55176

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NC(=O)C4=CC(=C(C=C4)N5CCN(CC5)C)[N+](=O)[O-])C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NC(=O)C4=CC(=C(C=C4)N5CCN(CC5)C)[N+](=O)[O-])C

InChI

InChI=1S/C24H34N4O3/c1-22-11-17-12-23(2,14-22)16-24(13-17,15-22)25-21(29)18-4-5-19(20(10-18)28(30)31)27-8-6-26(3)7-9-27/h4-5,10,17H,6-9,11-16H2,1-3H3,(H,25,29)/t17?,22-,23+,24?