2-[3-butan-2-yl-7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[3-butan-2-yl-7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-butyl-ethanamide Openeye Name: N-butyl-2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3-sec-butyl-3H-1,4-benzodiazepin-1-yl]acetamide CAS Name: 2-[3-butan-2-yl-7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-butylacetamide IUPAC Name: 2-[3-butan-2-yl-7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-butylacetamide Traditional Name: N-butyl-2-[7-chloro-5-(2-fluorophenyl)-2-keto-3-sec-butyl-3H-1,4-benzodiazepin-1-yl]acetamide Formula: C25H29ClFN3O2 MolecularWeight: 457.968063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)C(C)CC)C3=CC=CC=C3F

Isomeric SMILES

CCCCNC(=O)CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)C(C)CC)C3=CC=CC=C3F

InChI

InChI=1S/C25H29ClFN3O2/c1-4-6-13-28-22(31)15-30-21-12-11-17(26)14-19(21)24(18-9-7-8-10-20(18)27)29-23(25(30)32)16(3)5-2/h7-12,14,16,23H,4-6,13,15H2,1-3H3,(H,28,31)