6-[(3S)-1-(1-phenylethyl)piperidin-3-yl]oxyisoquinolin-1-amine

Systemtic Name: 6-[(3S)-1-(1-phenylethyl)piperidin-3-yl]oxyisoquinolin-1-amine Openeye Name: 6-[[(3S)-1-(1-phenylethyl)-3-piperidyl]oxy]isoquinolin-1-amine CAS Name: 6-[[(3S)-1-(1-phenylethyl)-3-piperidinyl]oxy]-1-isoquinolinamine IUPAC Name: 6-[(3S)-1-(1-phenylethyl)piperidin-3-yl]oxyisoquinolin-1-amine Traditional Name: [6-[[(3S)-1-(1-phenylethyl)-3-piperidyl]oxy]-1-isoquinolyl]amine Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCCC(C2)OC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCC[C@@H](C2)OC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C22H25N3O/c1-16(17-6-3-2-4-7-17)25-13-5-8-20(15-25)26-19-9-10-21-18(14-19)11-12-24-22(21)23/h2-4,6-7,9-12,14,16,20H,5,8,13,15H2,1H3,(H2,23,24)/t16?,20-/m0/s1