2-cycloheptyl-N-[1-oxidanylidene-2-[(3S)-pyrrolidin-3-yl]isoquinolin-5-yl]ethanamide

Systemtic Name: 2-cycloheptyl-N-[1-oxidanylidene-2-[(3S)-pyrrolidin-3-yl]isoquinolin-5-yl]ethanamide Openeye Name: 2-cycloheptyl-N-[1-oxo-2-[(3S)-pyrrolidin-3-yl]-5-isoquinolyl]acetamide CAS Name: 2-cycloheptyl-N-[1-oxo-2-[(3S)-3-pyrrolidinyl]-5-isoquinolinyl]acetamide IUPAC Name: 2-cycloheptyl-N-[1-oxo-2-[(3S)-pyrrolidin-3-yl]isoquinolin-5-yl]acetamide Traditional Name: 2-cycloheptyl-N-[1-keto-2-[(3S)-pyrrolidin-3-yl]-5-isoquinolyl]acetamide Formula: C22H29N3O2 MolecularWeight: 367.48456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CC(=O)NC2=CC=CC3=C2C=CN(C3=O)C4CCNC4

Isomeric SMILES

C1CCCC(CC1)CC(=O)NC2=CC=CC3=C2C=CN(C3=O)[C@H]4CCNC4

InChI

InChI=1S/C22H29N3O2/c26-21(14-16-6-3-1-2-4-7-16)24-20-9-5-8-19-18(20)11-13-25(22(19)27)17-10-12-23-15-17/h5,8-9,11,13,16-17,23H,1-4,6-7,10,12,14-15H2,(H,24,26)/t17-/m0/s1