5-(2-fluorophenyl)-7-isocyanato-1-methyl-3-propyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(2-fluorophenyl)-7-isocyanato-1-methyl-3-propyl-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(2-fluorophenyl)-7-isocyanato-1-methyl-3-propyl-3H-1,4-benzodiazepin-2-one CAS Name: 5-(2-fluorophenyl)-7-isocyanato-1-methyl-3-propyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-fluorophenyl)-7-isocyanato-1-methyl-3-propyl-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(2-fluorophenyl)-7-isocyanato-1-methyl-3-propyl-3H-1,4-benzodiazepin-2-one Formula: C20H18FN3O2 MolecularWeight: 351.374223

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C2=C(C=C(C=C2)N=C=O)C(=N1)C3=CC=CC=C3F)C

Isomeric SMILES

CCCC1C(=O)N(C2=C(C=C(C=C2)N=C=O)C(=N1)C3=CC=CC=C3F)C

InChI

InChI=1S/C20H18FN3O2/c1-3-6-17-20(26)24(2)18-10-9-13(22-12-25)11-15(18)19(23-17)14-7-4-5-8-16(14)21/h4-5,7-11,17H,3,6H2,1-2H3