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

Systemtic Name: N-[1-[(2-fluoranyl-4-methyl-phenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[1-[(2-fluoro-4-methyl-phenyl)carbamoyl]-3-methyl-butyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[1-(2-fluoro-4-methylanilino)-4-methyl-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[1-(2-fluoro-4-methylanilino)-4-methyl-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[1-[(2-fluoro-4-methyl-phenyl)carbamoyl]-3-methyl-butyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C23H28FN3O2 MolecularWeight: 397.485723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O2/c1-14(2)10-21(23(29)26-19-9-8-15(3)11-18(19)24)27-22(28)20-12-16-6-4-5-7-17(16)13-25-20/h4-9,11,14,20-21,25H,10,12-13H2,1-3H3,(H,26,29)(H,27,28)