4-[1,3-benzodioxol-4-yl(but-3-ynyl)amino]-7-methoxy-5-(1-methylpiperidin-4-yl)oxy-quinoline-3-carbonitrile

Systemtic Name: 4-[1,3-benzodioxol-4-yl(but-3-ynyl)amino]-7-methoxy-5-(1-methylpiperidin-4-yl)oxy-quinoline-3-carbonitrile Openeye Name: 4-[1,3-benzodioxol-4-yl(but-3-ynyl)amino]-7-methoxy-5-[(1-methyl-4-piperidyl)oxy]quinoline-3-carbonitrile CAS Name: 4-[1,3-benzodioxol-4-yl(but-3-ynyl)amino]-7-methoxy-5-[(1-methyl-4-piperidinyl)oxy]-3-quinolinecarbonitrile IUPAC Name: 4-[1,3-benzodioxol-4-yl(but-3-ynyl)amino]-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinoline-3-carbonitrile Traditional Name: 4-[1,3-benzodioxol-4-yl(but-3-ynyl)amino]-7-methoxy-5-[(1-methyl-4-piperidyl)oxy]quinoline-3-carbonitrile Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC2=C3C(=CC(=C2)OC)N=CC(=C3N(CCC#C)C4=C5C(=CC=C4)OCO5)C#N

Isomeric SMILES

CN1CCC(CC1)OC2=C3C(=CC(=C2)OC)N=CC(=C3N(CCC#C)C4=C5C(=CC=C4)OCO5)C#N

InChI

InChI=1S/C28H28N4O4/c1-4-5-11-32(23-7-6-8-24-28(23)35-18-34-24)27-19(16-29)17-30-22-14-21(33-3)15-25(26(22)27)36-20-9-12-31(2)13-10-20/h1,6-8,14-15,17,20H,5,9-13,18H2,2-3H3