6-ethoxy-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile hydrochloride

Systemtic Name: 6-ethoxy-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile hydrochloride Openeye Name: 6-ethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile hydrochloride CAS Name: 6-ethoxy-4-(3,4,5-trimethoxyanilino)-3-quinolinecarbonitrile hydrochloride IUPAC Name: 6-ethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile hydrochloride Traditional Name: 6-ethoxy-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile hydrochloride Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC(=C(C(=C3)OC)OC)OC.Cl

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC(=C(C(=C3)OC)OC)OC.Cl

InChI

InChI=1S/C21H21N3O4.ClH/c1-5-28-15-6-7-17-16(10-15)20(13(11-22)12-23-17)24-14-8-18(25-2)21(27-4)19(9-14)26-3;/h6-10,12H,5H2,1-4H3,(H,23,24);1H