4-[[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-chloranyl-benzenecarbonitrile

Systemtic Name: 4-[[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-chloranyl-benzenecarbonitrile Openeye Name: 4-[[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-chloro-benzonitrile CAS Name: 4-[[2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-chlorobenzonitrile IUPAC Name: 4-[[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-chlorobenzonitrile Traditional Name: 4-[[2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-chloro-benzonitrile Formula: C25H26ClN7O MolecularWeight: 475.97324

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2)N3CCC4=C(C3)C=C(C=C4)OC5=CC(=C(C=C5)C#N)Cl)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)N3CCC4=C(C3)C=C(C=C4)OC5=CC(=C(C=C5)C#N)Cl)N

InChI

InChI=1S/C25H26ClN7O/c1-31-8-10-32(11-9-31)23-14-24(30-25(28)29-23)33-7-6-17-2-4-20(12-19(17)16-33)34-21-5-3-18(15-27)22(26)13-21/h2-5,12-14H,6-11,16H2,1H3,(H2,28,29,30)