4-[(3-chloranyl-6-methoxy-pyridin-2-yl)amino]-6-methoxy-7-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-6-methoxy-pyridin-2-yl)amino]-6-methoxy-7-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]quinoline-3-carbonitrile Openeye Name: 4-[(3-chloro-6-methoxy-2-pyridyl)amino]-6-methoxy-7-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]quinoline-3-carbonitrile CAS Name: 4-[(3-chloro-6-methoxy-2-pyridinyl)amino]-6-methoxy-7-[2-(4-prop-2-ynyl-1-piperazinyl)ethoxy]-3-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-6-methoxypyridin-2-yl)amino]-6-methoxy-7-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]quinoline-3-carbonitrile Traditional Name: 4-[(3-chloro-6-methoxy-2-pyridyl)amino]-6-methoxy-7-[2-(4-propargylpiperazino)ethoxy]quinoline-3-carbonitrile Formula: C26H27ClN6O3 MolecularWeight: 506.98398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)Cl)NC2=C(C=NC3=CC(=C(C=C32)OC)OCCN4CCN(CC4)CC#C)C#N

Isomeric SMILES

COC1=NC(=C(C=C1)Cl)NC2=C(C=NC3=CC(=C(C=C32)OC)OCCN4CCN(CC4)CC#C)C#N

InChI

InChI=1S/C26H27ClN6O3/c1-4-7-32-8-10-33(11-9-32)12-13-36-23-15-21-19(14-22(23)34-2)25(18(16-28)17-29-21)31-26-20(27)5-6-24(30-26)35-3/h1,5-6,14-15,17H,7-13H2,2-3H3,(H,29,30,31)