N-[[4-[[(3,4-dimethoxyphenyl)carbonylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[(3,4-dimethoxyphenyl)carbonylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(veratroylamino)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C28H33N3O5/c1-35-23-8-7-22(12-24(23)36-2)26(33)31-30-25(32)21-5-3-17(4-6-21)16-29-27(34)28-13-18-9-19(14-28)11-20(10-18)15-28/h3-8,12,18-20H,9-11,13-16H2,1-2H3,(H,29,34)(H,30,32)(H,31,33)