N-[4-[2-(2-adamantylamino)ethoxy]phenyl]-4-oxidanylidene-1,5,6,7-tetrahydroindole-3-carboxamide

Systemtic Name: N-[4-[2-(2-adamantylamino)ethoxy]phenyl]-4-oxidanylidene-1,5,6,7-tetrahydroindole-3-carboxamide Openeye Name: N-[4-[2-(2-adamantylamino)ethoxy]phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide CAS Name: N-[4-[2-(2-adamantylamino)ethoxy]phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide IUPAC Name: N-[4-[2-(2-adamantylamino)ethoxy]phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide Traditional Name: N-[4-[2-(2-adamantylamino)ethoxy]phenyl]-4-keto-1,5,6,7-tetrahydroindole-3-carboxamide Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=CN2)C(=O)NC3=CC=C(C=C3)OCCNC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=CN2)C(=O)NC3=CC=C(C=C3)OCCNC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C27H33N3O3/c31-24-3-1-2-23-25(24)22(15-29-23)27(32)30-20-4-6-21(7-5-20)33-9-8-28-26-18-11-16-10-17(13-18)14-19(26)12-16/h4-7,15-19,26,28-29H,1-3,8-14H2,(H,30,32)