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

Systemtic Name: (3E)-7-chloranyl-3-[[di(propan-2-yl)amino]methylidene]-5-phenyl-4H-1,4-benzodiazepin-2-one Openeye Name: (3E)-7-chloro-3-[(diisopropylamino)methylene]-5-phenyl-4H-1,4-benzodiazepin-2-one CAS Name: (3E)-7-chloro-3-[[di(propan-2-yl)amino]methylidene]-5-phenyl-4H-1,4-benzodiazepin-2-one IUPAC Name: (3E)-7-chloro-3-[[di(propan-2-yl)amino]methylidene]-5-phenyl-4H-1,4-benzodiazepin-2-one Traditional Name: (3E)-7-chloro-3-[(diisopropylamino)methylene]-5-phenyl-4H-1,4-benzodiazepin-2-one Formula: C22H24ClN3O MolecularWeight: 381.89846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C=C1C(=O)N=C2C=CC(=CC2=C(N1)C3=CC=CC=C3)Cl)C(C)C

Isomeric SMILES

CC(C)N(/C=C/1\C(=O)N=C2C=CC(=CC2=C(N1)C3=CC=CC=C3)Cl)C(C)C

InChI

InChI=1S/C22H24ClN3O/c1-14(2)26(15(3)4)13-20-22(27)25-19-11-10-17(23)12-18(19)21(24-20)16-8-6-5-7-9-16/h5-15,24H,1-4H3/b20-13+