N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-2-methyl-6-phenyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-2-methyl-6-phenyl-pyridine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-2-methyl-6-phenyl-pyridine-3-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl]-2-methyl-6-phenyl-3-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-2-methyl-6-phenyl-nicotinamide Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H21N3O4/c1-17-20(12-13-22(28-17)18-7-3-2-4-8-18)26(31)30-23-10-6-5-9-21(23)27(32)29-19-11-14-24-25(15-19)34-16-33-24/h2-15H,16H2,1H3,(H,29,32)(H,30,31)