4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]-5-(oxan-4-yloxy)-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carbonitrile

Systemtic Name: 4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]-5-(oxan-4-yloxy)-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)-5-tetrahydropyran-4-yloxy-quinoline-3-carbonitrile CAS Name: 4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-5-(4-oxanyloxy)-7-[3-(1-pyrrolidinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-5-(oxan-4-yloxy)-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-7-(3-pyrrolidinopropoxy)-5-tetrahydropyran-4-yloxy-quinoline-3-carbonitrile Formula: C29H31ClN4O5 MolecularWeight: 551.03324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCOC2=CC(=C3C(=C2)N=CC(=C3NC4=C(C=CC5=C4OCO5)Cl)C#N)OC6CCOCC6

Isomeric SMILES

C1CCN(C1)CCCOC2=CC(=C3C(=C2)N=CC(=C3NC4=C(C=CC5=C4OCO5)Cl)C#N)OC6CCOCC6

InChI

InChI=1S/C29H31ClN4O5/c30-22-4-5-24-29(38-18-37-24)28(22)33-27-19(16-31)17-32-23-14-21(36-11-3-10-34-8-1-2-9-34)15-25(26(23)27)39-20-6-12-35-13-7-20/h4-5,14-15,17,20H,1-3,6-13,18H2,(H,32,33)