6-[5-[(2S)-2-azanyl-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]isoquinolin-3-amine

Systemtic Name: 6-[5-[(2S)-2-azanyl-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]isoquinolin-3-amine Openeye Name: 6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridyl]isoquinolin-3-amine CAS Name: 6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-isoquinolinamine IUPAC Name: 6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]isoquinolin-3-amine Traditional Name: [6-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridyl]-3-isoquinolyl]amine Formula: C25H23N5O MolecularWeight: 409.48302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CN=CC(=C3)C4=CC5=CC(=NC=C5C=C4)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](COC3=CN=CC(=C3)C4=CC5=CC(=NC=C5C=C4)N)N

InChI

InChI=1S/C25H23N5O/c26-21(8-20-13-29-24-4-2-1-3-23(20)24)15-31-22-9-19(11-28-14-22)16-5-6-17-12-30-25(27)10-18(17)7-16/h1-7,9-14,21,29H,8,15,26H2,(H2,27,30)/t21-/m0/s1