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

Systemtic Name: 2-[3-butan-2-yl-7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-(4-dimethylaminophenyl)ethanamide Openeye Name: 2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3-sec-butyl-3H-1,4-benzodiazepin-1-yl]-N-(4-dimethylaminophenyl)acetamide CAS Name: 2-[3-butan-2-yl-7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(4-dimethylaminophenyl)acetamide IUPAC Name: 2-[3-butan-2-yl-7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(4-dimethylaminophenyl)acetamide Traditional Name: 2-[7-chloro-5-(2-fluorophenyl)-2-keto-3-sec-butyl-3H-1,4-benzodiazepin-1-yl]-N-(4-dimethylaminophenyl)acetamide Formula: C29H30ClFN4O2 MolecularWeight: 521.025503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(=O)NC4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCC(C)C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(=O)NC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C29H30ClFN4O2/c1-5-18(2)27-29(37)35(17-26(36)32-20-11-13-21(14-12-20)34(3)4)25-15-10-19(30)16-23(25)28(33-27)22-8-6-7-9-24(22)31/h6-16,18,27H,5,17H2,1-4H3,(H,32,36)