N-[3-[[4-fluoranyl-3-(imidazol-1-ylmethyl)phenyl]methylamino]-3-oxidanylidene-propyl]-2-methyl-benzamide

Systemtic Name: N-[3-[[4-fluoranyl-3-(imidazol-1-ylmethyl)phenyl]methylamino]-3-oxidanylidene-propyl]-2-methyl-benzamide Openeye Name: N-[3-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methylamino]-3-oxo-propyl]-2-methyl-benzamide CAS Name: N-[3-[[4-fluoro-3-(1-imidazolylmethyl)phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide IUPAC Name: N-[3-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide Traditional Name: N-[3-[[4-fluoro-3-(imidazol-1-ylmethyl)benzyl]amino]-3-keto-propyl]-2-methyl-benzamide Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)NCC2=CC(=C(C=C2)F)CN3C=CN=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)NCC2=CC(=C(C=C2)F)CN3C=CN=C3

InChI

InChI=1S/C22H23FN4O2/c1-16-4-2-3-5-19(16)22(29)25-9-8-21(28)26-13-17-6-7-20(23)18(12-17)14-27-11-10-24-15-27/h2-7,10-12,15H,8-9,13-14H2,1H3,(H,25,29)(H,26,28)