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

Systemtic Name: N-butyl-N-[5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]benzamide Openeye Name: N-butyl-N-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]benzamide CAS Name: N-butyl-N-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]benzamide IUPAC Name: N-butyl-N-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]benzamide Traditional Name: N-butyl-N-[5-(2-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]benzamide Formula: C27H26FN3O2 MolecularWeight: 443.512643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3F)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCN(C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3F)C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26FN3O2/c1-3-4-18-31(26(32)19-12-6-5-7-13-19)25-27(33)30(2)23-17-11-9-15-21(23)24(29-25)20-14-8-10-16-22(20)28/h5-17,25H,3-4,18H2,1-2H3