(2S)-2-(1-adamantylamino)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one

Systemtic Name: (2S)-2-(1-adamantylamino)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-adamantylamino)propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-adamantylamino)-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-adamantylamino)propan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-adamantylamino)propan-1-one Formula: C21H30N2O2 MolecularWeight: 342.4751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2O2/c1-11-18(14(4)24)12(2)22-19(11)20(25)13(3)23-21-8-15-5-16(9-21)7-17(6-15)10-21/h13,15-17,22-23H,5-10H2,1-4H3/t13-,15?,16?,17?,21?/m0/s1