N-[4-(1-adamantyl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-morpholino-5-nitro-benzamide Formula: C27H31N3O4 MolecularWeight: 461.55274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H31N3O4/c31-26(24-14-23(30(32)33)5-6-25(24)29-7-9-34-10-8-29)28-22-3-1-21(2-4-22)27-15-18-11-19(16-27)13-20(12-18)17-27/h1-6,14,18-20H,7-13,15-17H2,(H,28,31)