2-[5-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]indol-1-yl]ethanamide

Systemtic Name: 2-[5-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]indol-1-yl]ethanamide Openeye Name: 2-[5-[[(3R)-3-(5-isoquinolylamino)pyrrolidin-1-yl]methyl]indol-1-yl]acetamide CAS Name: 2-[5-[[(3R)-3-(5-isoquinolinylamino)-1-pyrrolidinyl]methyl]-1-indolyl]acetamide IUPAC Name: 2-[5-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]indol-1-yl]acetamide Traditional Name: 2-[5-[[(3R)-3-(5-isoquinolylamino)pyrrolidino]methyl]indol-1-yl]acetamide Formula: C24H25N5O MolecularWeight: 399.4882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=CC=CC3=C2C=CN=C3)CC4=CC5=C(C=C4)N(C=C5)CC(=O)N

Isomeric SMILES

C1CN(C[C@@H]1NC2=CC=CC3=C2C=CN=C3)CC4=CC5=C(C=C4)N(C=C5)CC(=O)N

InChI

InChI=1S/C24H25N5O/c25-24(30)16-29-11-7-18-12-17(4-5-23(18)29)14-28-10-8-20(15-28)27-22-3-1-2-19-13-26-9-6-21(19)22/h1-7,9,11-13,20,27H,8,10,14-16H2,(H2,25,30)/t20-/m1/s1