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

Systemtic Name: 2-[3-butan-2-yl-7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-(3-ethylphenyl)ethanamide Openeye Name: 2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3-sec-butyl-3H-1,4-benzodiazepin-1-yl]-N-(3-ethylphenyl)acetamide CAS Name: 2-[3-butan-2-yl-7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(3-ethylphenyl)acetamide IUPAC Name: 2-[3-butan-2-yl-7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(3-ethylphenyl)acetamide Traditional Name: 2-[7-chloro-5-(2-fluorophenyl)-2-keto-3-sec-butyl-3H-1,4-benzodiazepin-1-yl]-N-(3-ethylphenyl)acetamide Formula: C29H29ClFN3O2 MolecularWeight: 506.010863

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CN2C3=C(C=C(C=C3)Cl)C(=NC(C2=O)C(C)CC)C4=CC=CC=C4F

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CN2C3=C(C=C(C=C3)Cl)C(=NC(C2=O)C(C)CC)C4=CC=CC=C4F

InChI

InChI=1S/C29H29ClFN3O2/c1-4-18(3)27-29(36)34(17-26(35)32-21-10-8-9-19(5-2)15-21)25-14-13-20(30)16-23(25)28(33-27)22-11-6-7-12-24(22)31/h6-16,18,27H,4-5,17H2,1-3H3,(H,32,35)