6-[(5-bromanyl-2-methyl-phenyl)amino]-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 6-[(5-bromanyl-2-methyl-phenyl)amino]-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide Openeye Name: 6-(5-bromo-2-methyl-anilino)-4-cyclopropyl-N-(tetrahydropyran-4-ylmethyl)pyridine-3-carboxamide CAS Name: 6-(5-bromo-2-methylanilino)-4-cyclopropyl-N-(4-oxanylmethyl)-3-pyridinecarboxamide IUPAC Name: 6-(5-bromo-2-methylanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide Traditional Name: 6-(5-bromo-2-methyl-anilino)-4-cyclopropyl-N-(tetrahydropyran-4-ylmethyl)nicotinamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)NC2=NC=C(C(=C2)C3CC3)C(=O)NCC4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)Br)NC2=NC=C(C(=C2)C3CC3)C(=O)NCC4CCOCC4

InChI

InChI=1S/C22H26BrN3O2/c1-14-2-5-17(23)10-20(14)26-21-11-18(16-3-4-16)19(13-24-21)22(27)25-12-15-6-8-28-9-7-15/h2,5,10-11,13,15-16H,3-4,6-9,12H2,1H3,(H,24,26)(H,25,27)