(3E)-3-[[bis(prop-2-enyl)amino]methylidene]-7-chloranyl-5-phenyl-4H-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-3-[[bis(prop-2-enyl)amino]methylidene]-7-chloranyl-5-phenyl-4H-1,4-benzodiazepin-2-one Openeye Name: (3E)-7-chloro-3-[(diallylamino)methylene]-5-phenyl-4H-1,4-benzodiazepin-2-one CAS Name: (3E)-3-[[bis(prop-2-enyl)amino]methylidene]-7-chloro-5-phenyl-4H-1,4-benzodiazepin-2-one IUPAC Name: (3E)-3-[[bis(prop-2-enyl)amino]methylidene]-7-chloro-5-phenyl-4H-1,4-benzodiazepin-2-one Traditional Name: (3E)-7-chloro-3-[(diallylamino)methylene]-5-phenyl-4H-1,4-benzodiazepin-2-one Formula: C22H20ClN3O MolecularWeight: 377.8667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O/c1-3-12-26(13-4-2)15-20-22(27)25-19-11-10-17(23)14-18(19)21(24-20)16-8-6-5-7-9-16/h3-11,14-15,24H,1-2,12-13H2/b20-15+