N-[1-[(2-fluoranyl-4-methyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-[1-[(2-fluoranyl-4-methyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[1-[(2-fluoro-4-methyl-phenyl)carbamoyl]-2-methyl-propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[1-(2-fluoro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[1-(2-fluoro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[1-[(2-fluoro-4-methyl-phenyl)carbamoyl]-2-methyl-propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C22H26FN3O2 MolecularWeight: 383.459143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CC3=CC=CC=C3CN2)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CC3=CC=CC=C3CN2)F

InChI

InChI=1S/C22H26FN3O2/c1-13(2)20(22(28)25-18-9-8-14(3)10-17(18)23)26-21(27)19-11-15-6-4-5-7-16(15)12-24-19/h4-10,13,19-20,24H,11-12H2,1-3H3,(H,25,28)(H,26,27)