4-[(3,4-dimethoxyphenyl)methylamino]-6-ethoxy-quinoline-3-carbonitrile

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methylamino]-6-ethoxy-quinoline-3-carbonitrile Openeye Name: 4-[(3,4-dimethoxyphenyl)methylamino]-6-ethoxy-quinoline-3-carbonitrile CAS Name: 4-[(3,4-dimethoxyphenyl)methylamino]-6-ethoxy-3-quinolinecarbonitrile IUPAC Name: 4-[(3,4-dimethoxyphenyl)methylamino]-6-ethoxyquinoline-3-carbonitrile Traditional Name: 6-ethoxy-4-(veratrylamino)quinoline-3-carbonitrile Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)C#N)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)C#N)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H21N3O3/c1-4-27-16-6-7-18-17(10-16)21(15(11-22)13-23-18)24-12-14-5-8-19(25-2)20(9-14)26-3/h5-10,13H,4,12H2,1-3H3,(H,23,24)