(3E)-7-chloranyl-5-phenyl-3-[(4-propan-2-ylphenyl)methylidene]-4H-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-7-chloranyl-5-phenyl-3-[(4-propan-2-ylphenyl)methylidene]-4H-1,4-benzodiazepin-2-one Openeye Name: (3E)-7-chloro-3-[(4-isopropylphenyl)methylene]-5-phenyl-4H-1,4-benzodiazepin-2-one CAS Name: (3E)-7-chloro-5-phenyl-3-[(4-propan-2-ylphenyl)methylidene]-4H-1,4-benzodiazepin-2-one IUPAC Name: (3E)-7-chloro-5-phenyl-3-[(4-propan-2-ylphenyl)methylidene]-4H-1,4-benzodiazepin-2-one Traditional Name: (3E)-7-chloro-3-(4-isopropylbenzylidene)-5-phenyl-4H-1,4-benzodiazepin-2-one Formula: C25H21ClN2O MolecularWeight: 400.90004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C2C(=O)N=C3C=CC(=CC3=C(N2)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/2\C(=O)N=C3C=CC(=CC3=C(N2)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H21ClN2O/c1-16(2)18-10-8-17(9-11-18)14-23-25(29)28-22-13-12-20(26)15-21(22)24(27-23)19-6-4-3-5-7-19/h3-16,27H,1-2H3/b23-14+