4-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)-6-phenylmethoxy-pyridine-3,5-dicarbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)-6-phenylmethoxy-pyridine-3,5-dicarbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-benzyloxy-6-(cyclopropylamino)pyridine-3,5-dicarbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)-6-phenylmethoxypyridine-3,5-dicarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)-6-phenylmethoxypyridine-3,5-dicarbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-benzoxy-6-(cyclopropylamino)dinicotinonitrile Formula: C24H18N4O3 MolecularWeight: 410.42472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=C(C(=C2C#N)C3=CC4=C(C=C3)OCO4)C#N)OCC5=CC=CC=C5

Isomeric SMILES

C1CC1NC2=NC(=C(C(=C2C#N)C3=CC4=C(C=C3)OCO4)C#N)OCC5=CC=CC=C5

InChI

InChI=1S/C24H18N4O3/c25-11-18-22(16-6-9-20-21(10-16)31-14-30-20)19(12-26)24(28-23(18)27-17-7-8-17)29-13-15-4-2-1-3-5-15/h1-6,9-10,17H,7-8,13-14H2,(H,27,28)