2-(1,3-benzodioxol-5-ylamino)-N-phenethyl-pyridine-3-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylamino)-N-phenethyl-pyridine-3-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylamino)-N-phenethyl-pyridine-3-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylamino)-N-phenethyl-3-pyridinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylamino)-N-phenethylpyridine-3-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-ylamino)-N-phenethyl-nicotinamide Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C=CC=N3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C=CC=N3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3/c25-21(23-12-10-15-5-2-1-3-6-15)17-7-4-11-22-20(17)24-16-8-9-18-19(13-16)27-14-26-18/h1-9,11,13H,10,12,14H2,(H,22,24)(H,23,25)