4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-[3-(1-piperazinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(3-piperazinopropoxy)quinoline-3-carbonitrile Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=CC=C3)OCO4)OCCCN5CCNCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=CC=C3)OCO4)OCCCN5CCNCC5

InChI

InChI=1S/C25H27N5O4/c1-31-22-12-18-20(13-23(22)32-11-3-8-30-9-6-27-7-10-30)28-15-17(14-26)24(18)29-19-4-2-5-21-25(19)34-16-33-21/h2,4-5,12-13,15,27H,3,6-11,16H2,1H3,(H,28,29)