2-(1-adamantylamino)-3,3-dimethyl-N-[(4-nitrophenyl)methyl]butanamide

Systemtic Name: 2-(1-adamantylamino)-3,3-dimethyl-N-[(4-nitrophenyl)methyl]butanamide Openeye Name: 2-(1-adamantylamino)-3,3-dimethyl-N-[(4-nitrophenyl)methyl]butanamide CAS Name: 2-(1-adamantylamino)-3,3-dimethyl-N-[(4-nitrophenyl)methyl]butanamide IUPAC Name: 2-(1-adamantylamino)-3,3-dimethyl-N-[(4-nitrophenyl)methyl]butanamide Traditional Name: 2-(1-adamantylamino)-3,3-dimethyl-N-(4-nitrobenzyl)butyramide Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NCC1=CC=C(C=C1)[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)C(C(=O)NCC1=CC=C(C=C1)[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H33N3O3/c1-22(2,3)20(21(27)24-14-15-4-6-19(7-5-15)26(28)29)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,16-18,20,25H,8-14H2,1-3H3,(H,24,27)