N-[1-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[1-[4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methyl-propyl]-4-fluoro-benzamide CAS Name: N-[1-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide IUPAC Name: N-[1-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide Traditional Name: N-[1-[4-(4-cyanobenzyl)-1,4-diazepane-1-carbonyl]-2-methyl-propyl]-4-fluoro-benzamide Formula: C25H29FN4O2 MolecularWeight: 436.521763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)C#N)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)C#N)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H29FN4O2/c1-18(2)23(28-24(31)21-8-10-22(26)11-9-21)25(32)30-13-3-12-29(14-15-30)17-20-6-4-19(16-27)5-7-20/h4-11,18,23H,3,12-15,17H2,1-2H3,(H,28,31)