5-[(8-chloranylisoquinolin-3-yl)amino]-3-[(3R)-pyrrolidin-3-yl]oxy-pyrazine-2-carbonitrile

Systemtic Name: 5-[(8-chloranylisoquinolin-3-yl)amino]-3-[(3R)-pyrrolidin-3-yl]oxy-pyrazine-2-carbonitrile Openeye Name: 5-[(8-chloro-3-isoquinolyl)amino]-3-[(3R)-pyrrolidin-3-yl]oxy-pyrazine-2-carbonitrile CAS Name: 5-[(8-chloro-3-isoquinolinyl)amino]-3-[[(3R)-3-pyrrolidinyl]oxy]-2-pyrazinecarbonitrile IUPAC Name: 5-[(8-chloroisoquinolin-3-yl)amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile Traditional Name: 5-[(8-chloro-3-isoquinolyl)amino]-3-[(3R)-pyrrolidin-3-yl]oxy-pyrazinonitrile Formula: C18H15ClN6O MolecularWeight: 366.8043

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1OC2=NC(=CN=C2C#N)NC3=NC=C4C(=C3)C=CC=C4Cl

Isomeric SMILES

C1CNC[C@@H]1OC2=NC(=CN=C2C#N)NC3=NC=C4C(=C3)C=CC=C4Cl

InChI

InChI=1S/C18H15ClN6O/c19-14-3-1-2-11-6-16(23-9-13(11)14)24-17-10-22-15(7-20)18(25-17)26-12-4-5-21-8-12/h1-3,6,9-10,12,21H,4-5,8H2,(H,23,24,25)/t12-/m1/s1