N-(1-adamantylmethyl)-2-nitro-3-piperazin-1-yl-benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-nitro-3-piperazin-1-yl-benzamide Openeye Name: N-(1-adamantylmethyl)-2-nitro-3-piperazin-1-yl-benzamide CAS Name: N-(1-adamantylmethyl)-2-nitro-3-(1-piperazinyl)benzamide IUPAC Name: N-(1-adamantylmethyl)-2-nitro-3-piperazin-1-ylbenzamide Traditional Name: N-(1-adamantylmethyl)-2-nitro-3-piperazino-benzamide Formula: C22H30N4O3 MolecularWeight: 398.4986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC(=C2[N+](=O)[O-])C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1)C2=CC=CC(=C2[N+](=O)[O-])C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N4O3/c27-21(24-14-22-11-15-8-16(12-22)10-17(9-15)13-22)18-2-1-3-19(20(18)26(28)29)25-6-4-23-5-7-25/h1-3,15-17,23H,4-14H2,(H,24,27)