N-[5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-4-pentyl-benzamide

Systemtic Name: N-[5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-4-pentyl-benzamide Openeye Name: N-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-4-pentyl-benzamide CAS Name: N-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-4-pentylbenzamide IUPAC Name: N-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-4-pentylbenzamide Traditional Name: 4-amyl-N-[5-(2-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]benzamide Formula: C28H28FN3O2 MolecularWeight: 457.539223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4F)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4F)C

InChI

InChI=1S/C28H28FN3O2/c1-3-4-5-10-19-15-17-20(18-16-19)27(33)31-26-28(34)32(2)24-14-9-7-12-22(24)25(30-26)21-11-6-8-13-23(21)29/h6-9,11-18,26H,3-5,10H2,1-2H3,(H,31,33)