1-butyl-3-[6-chloranyl-5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]urea

Systemtic Name: 1-butyl-3-[6-chloranyl-5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]urea Openeye Name: 1-butyl-3-[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea CAS Name: 1-butyl-3-[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea IUPAC Name: 1-butyl-3-[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea Traditional Name: 1-butyl-3-[6-chloro-5-(2-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-7-yl]urea Formula: C21H22ClFN4O2 MolecularWeight: 416.876383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(C2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C)Cl

Isomeric SMILES

CCCCNC(=O)NC1=C(C2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C)Cl

InChI

InChI=1S/C21H22ClFN4O2/c1-3-4-11-24-21(29)26-15-9-10-16-18(19(15)22)20(25-12-17(28)27(16)2)13-7-5-6-8-14(13)23/h5-10H,3-4,11-12H2,1-2H3,(H2,24,26,29)