6-[(3S)-1-(1H-pyrrol-2-ylmethyl)piperidin-3-yl]oxyisoquinolin-1-amine

Systemtic Name: 6-[(3S)-1-(1H-pyrrol-2-ylmethyl)piperidin-3-yl]oxyisoquinolin-1-amine Openeye Name: 6-[[(3S)-1-(1H-pyrrol-2-ylmethyl)-3-piperidyl]oxy]isoquinolin-1-amine CAS Name: 6-[[(3S)-1-(1H-pyrrol-2-ylmethyl)-3-piperidinyl]oxy]-1-isoquinolinamine IUPAC Name: 6-[(3S)-1-(1H-pyrrol-2-ylmethyl)piperidin-3-yl]oxyisoquinolin-1-amine Traditional Name: [6-[[(3S)-1-(1H-pyrrol-2-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=CC=CN2)OC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC=CN2)OC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C19H22N4O/c20-19-18-6-5-16(11-14(18)7-9-22-19)24-17-4-2-10-23(13-17)12-15-3-1-8-21-15/h1,3,5-9,11,17,21H,2,4,10,12-13H2,(H2,20,22)/t17-/m0/s1