5-[(8-chloranylisoquinolin-3-yl)amino]-3-[(1-methylpiperidin-4-yl)methoxy]pyrazine-2-carbonitrile

Systemtic Name: 5-[(8-chloranylisoquinolin-3-yl)amino]-3-[(1-methylpiperidin-4-yl)methoxy]pyrazine-2-carbonitrile Openeye Name: 5-[(8-chloro-3-isoquinolyl)amino]-3-[(1-methyl-4-piperidyl)methoxy]pyrazine-2-carbonitrile CAS Name: 5-[(8-chloro-3-isoquinolinyl)amino]-3-[(1-methyl-4-piperidinyl)methoxy]-2-pyrazinecarbonitrile IUPAC Name: 5-[(8-chloroisoquinolin-3-yl)amino]-3-[(1-methylpiperidin-4-yl)methoxy]pyrazine-2-carbonitrile Traditional Name: 5-[(8-chloro-3-isoquinolyl)amino]-3-[(1-methyl-4-piperidyl)methoxy]pyrazinonitrile Formula: C21H21ClN6O MolecularWeight: 408.88404

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)COC2=NC(=CN=C2C#N)NC3=NC=C4C(=C3)C=CC=C4Cl

Isomeric SMILES

CN1CCC(CC1)COC2=NC(=CN=C2C#N)NC3=NC=C4C(=C3)C=CC=C4Cl

InChI

InChI=1S/C21H21ClN6O/c1-28-7-5-14(6-8-28)13-29-21-18(10-23)24-12-20(27-21)26-19-9-15-3-2-4-17(22)16(15)11-25-19/h2-4,9,11-12,14H,5-8,13H2,1H3,(H,25,26,27)