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

Systemtic Name: 4-[(3-chloranyl-6-methoxy-pyridin-2-yl)amino]-6-methoxy-7-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Openeye Name: 4-[(3-chloro-6-methoxy-2-pyridyl)amino]-6-methoxy-7-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile CAS Name: 4-[(3-chloro-6-methoxy-2-pyridinyl)amino]-6-methoxy-7-[3-(4-prop-2-ynyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-6-methoxypyridin-2-yl)amino]-6-methoxy-7-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Traditional Name: 4-[(3-chloro-6-methoxy-2-pyridyl)amino]-6-methoxy-7-[3-(4-propargylpiperazino)propoxy]quinoline-3-carbonitrile Formula: C27H29ClN6O3 MolecularWeight: 521.01056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)Cl)NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCN4CCN(CC4)CC#C)C#N

Isomeric SMILES

COC1=NC(=C(C=C1)Cl)NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCN4CCN(CC4)CC#C)C#N

InChI

InChI=1S/C27H29ClN6O3/c1-4-8-33-10-12-34(13-11-33)9-5-14-37-24-16-22-20(15-23(24)35-2)26(19(17-29)18-30-22)32-27-21(28)6-7-25(31-27)36-3/h1,6-7,15-16,18H,5,8-14H2,2-3H3,(H,30,31,32)