5-[(8-chloranylisoquinolin-3-yl)amino]-3-(2-dimethylaminoethyloxy)pyrazine-2-carbonitrile

Systemtic Name: 5-[(8-chloranylisoquinolin-3-yl)amino]-3-(2-dimethylaminoethyloxy)pyrazine-2-carbonitrile Openeye Name: 5-[(8-chloro-3-isoquinolyl)amino]-3-(2-dimethylaminoethyloxy)pyrazine-2-carbonitrile CAS Name: 5-[(8-chloro-3-isoquinolinyl)amino]-3-(2-dimethylaminoethyloxy)-2-pyrazinecarbonitrile IUPAC Name: 5-[(8-chloroisoquinolin-3-yl)amino]-3-(2-dimethylaminoethyloxy)pyrazine-2-carbonitrile Traditional Name: 5-[(8-chloro-3-isoquinolyl)amino]-3-(2-dimethylaminoethyloxy)pyrazinonitrile Formula: C18H17ClN6O MolecularWeight: 368.82018

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=NC(=CN=C1C#N)NC2=NC=C3C(=C2)C=CC=C3Cl

Isomeric SMILES

CN(C)CCOC1=NC(=CN=C1C#N)NC2=NC=C3C(=C2)C=CC=C3Cl

InChI

InChI=1S/C18H17ClN6O/c1-25(2)6-7-26-18-15(9-20)21-11-17(24-18)23-16-8-12-4-3-5-14(19)13(12)10-22-16/h3-5,8,10-11H,6-7H2,1-2H3,(H,22,23,24)