6-[(3S)-1-(1H-pyrrol-3-ylmethyl)piperidin-3-yl]oxyisoquinolin-1-amine

Systemtic Name: 6-[(3S)-1-(1H-pyrrol-3-ylmethyl)piperidin-3-yl]oxyisoquinolin-1-amine Openeye Name: 6-[[(3S)-1-(1H-pyrrol-3-ylmethyl)-3-piperidyl]oxy]isoquinolin-1-amine CAS Name: 6-[[(3S)-1-(1H-pyrrol-3-ylmethyl)-3-piperidinyl]oxy]-1-isoquinolinamine IUPAC Name: 6-[(3S)-1-(1H-pyrrol-3-ylmethyl)piperidin-3-yl]oxyisoquinolin-1-amine Traditional Name: [6-[[(3S)-1-(1H-pyrrol-3-ylmethyl)-3-piperidyl]oxy]-1-isoquinolyl]amine Formula: C19H22N4O MolecularWeight: 322.40418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CNC=C2)OC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CNC=C2)OC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C19H22N4O/c20-19-18-4-3-16(10-15(18)6-8-22-19)24-17-2-1-9-23(13-17)12-14-5-7-21-11-14/h3-8,10-11,17,21H,1-2,9,12-13H2,(H2,20,22)/t17-/m0/s1