4-(1,3-benzodioxol-4-ylamino)-7-(4-chloranylbutoxy)-6-methoxy-quinoline-3-carbonitrile hydrochloride

Systemtic Name: 4-(1,3-benzodioxol-4-ylamino)-7-(4-chloranylbutoxy)-6-methoxy-quinoline-3-carbonitrile hydrochloride Openeye Name: 4-(1,3-benzodioxol-4-ylamino)-7-(4-chlorobutoxy)-6-methoxy-quinoline-3-carbonitrile hydrochloride CAS Name: 4-(1,3-benzodioxol-4-ylamino)-7-(4-chlorobutoxy)-6-methoxy-3-quinolinecarbonitrile hydrochloride IUPAC Name: 4-(1,3-benzodioxol-4-ylamino)-7-(4-chlorobutoxy)-6-methoxyquinoline-3-carbonitrile hydrochloride Traditional Name: 4-(1,3-benzodioxol-4-ylamino)-7-(4-chlorobutoxy)-6-methoxy-quinoline-3-carbonitrile hydrochloride Formula: C22H21Cl2N3O4 MolecularWeight: 462.32584

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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)OCCCCCl.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=CC=C3)OCO4)OCCCCCl.Cl

InChI

InChI=1S/C22H20ClN3O4.ClH/c1-27-19-9-15-17(10-20(19)28-8-3-2-7-23)25-12-14(11-24)21(15)26-16-5-4-6-18-22(16)30-13-29-18;/h4-6,9-10,12H,2-3,7-8,13H2,1H3,(H,25,26);1H