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

Systemtic Name: 1-[5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]-3-(2-methyl-1-oxidanyl-propan-2-yl)urea Openeye Name: 1-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxy-1,1-dimethyl-ethyl)urea CAS Name: 1-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(1-hydroxy-2-methylpropan-2-yl)urea IUPAC Name: 1-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(1-hydroxy-2-methylpropan-2-yl)urea Traditional Name: 1-[5-(2-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxy-1,1-dimethyl-ethyl)urea Formula: C21H23FN4O3 MolecularWeight: 398.430723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC(=O)NC1=CC2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C

Isomeric SMILES

CC(C)(CO)NC(=O)NC1=CC2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C

InChI

InChI=1S/C21H23FN4O3/c1-21(2,12-27)25-20(29)24-13-8-9-17-15(10-13)19(23-11-18(28)26(17)3)14-6-4-5-7-16(14)22/h4-10,27H,11-12H2,1-3H3,(H2,24,25,29)