1-[5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]-3-(2-oxidanylpropyl)urea; urea

Systemtic Name: 1-[5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]-3-(2-oxidanylpropyl)urea; urea Openeye Name: 1-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxypropyl)urea; urea CAS Name: 1-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxypropyl)urea; urea IUPAC Name: 1-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxypropyl)urea; urea Traditional Name: 1-[5-(2-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxypropyl)urea; urea Formula: C21H25FN6O4 MolecularWeight: 444.459403

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)NC1=CC2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C)O.C(=O)(N)N

Isomeric SMILES

CC(CNC(=O)NC1=CC2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C)O.C(=O)(N)N

InChI

InChI=1S/C20H21FN4O3.CH4N2O/c1-12(26)10-23-20(28)24-13-7-8-17-15(9-13)19(22-11-18(27)25(17)2)14-5-3-4-6-16(14)21;2-1(3)4/h3-9,12,26H,10-11H2,1-2H3,(H2,23,24,28);(H4,2,3,4)