6-(1,3-benzodioxol-5-ylamino)-N-phenethyl-pyridine-3-carboxamide

Systemtic Name: 6-(1,3-benzodioxol-5-ylamino)-N-phenethyl-pyridine-3-carboxamide Openeye Name: 6-(1,3-benzodioxol-5-ylamino)-N-phenethyl-pyridine-3-carboxamide CAS Name: 6-(1,3-benzodioxol-5-ylamino)-N-phenethyl-3-pyridinecarboxamide IUPAC Name: 6-(1,3-benzodioxol-5-ylamino)-N-phenethylpyridine-3-carboxamide Traditional Name: 6-(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=NC=C(C=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC=C(C=C3)C(=O)NCCC4=CC=CC=C4

InChI

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