4-bromanyl-N-(2-oxidanylidene-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)benzamide

Systemtic Name: 4-bromanyl-N-(2-oxidanylidene-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)benzamide Openeye Name: 4-bromo-N-(1-isopropyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzamide CAS Name: 4-bromo-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)benzamide IUPAC Name: 4-bromo-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)benzamide Traditional Name: 4-bromo-N-(1-isopropyl-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzamide Formula: C25H22BrN3O2 MolecularWeight: 476.36508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C25H22BrN3O2/c1-16(2)29-21-11-7-6-10-20(21)22(17-8-4-3-5-9-17)27-23(25(29)31)28-24(30)18-12-14-19(26)15-13-18/h3-16,23H,1-2H3,(H,28,30)