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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(ethylamino)-6-phenylmethoxy-pyridine-3,5-dicarbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-benzyloxy-6-(ethylamino)pyridine-3,5-dicarbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(ethylamino)-6-phenylmethoxypyridine-3,5-dicarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(ethylamino)-6-phenylmethoxypyridine-3,5-dicarbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-benzoxy-6-(ethylamino)dinicotinonitrile Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)OCC4=CC=CC=C4

Isomeric SMILES

CCNC1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C23H18N4O3/c1-2-26-22-17(11-24)21(16-8-9-19-20(10-16)30-14-29-19)18(12-25)23(27-22)28-13-15-6-4-3-5-7-15/h3-10H,2,13-14H2,1H3,(H,26,27)