N-[3-(1-adamantylamino)propyl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[3-(1-adamantylamino)propyl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[3-(1-adamantylamino)propyl]-2-chloro-5-nitro-benzamide CAS Name: N-[3-(1-adamantylamino)propyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[3-(1-adamantylamino)propyl]-2-chloro-5-nitrobenzamide Traditional Name: N-[3-(1-adamantylamino)propyl]-2-chloro-5-nitro-benzamide Formula: C20H26ClN3O3 MolecularWeight: 391.89174

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCCCNC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCCCNC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H26ClN3O3/c21-18-3-2-16(24(26)27)9-17(18)19(25)22-4-1-5-23-20-10-13-6-14(11-20)8-15(7-13)12-20/h2-3,9,13-15,23H,1,4-8,10-12H2,(H,22,25)