(3E)-7-chloranyl-3-[[cyclohexyl(methyl)amino]methylidene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-7-chloranyl-3-[[cyclohexyl(methyl)amino]methylidene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one Openeye Name: (3E)-7-chloro-3-[[cyclohexyl(methyl)amino]methylene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one CAS Name: (3E)-7-chloro-3-[[cyclohexyl(methyl)amino]methylidene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one IUPAC Name: (3E)-7-chloro-3-[[cyclohexyl(methyl)amino]methylidene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one Traditional Name: (3E)-7-chloro-3-[[cyclohexyl(methyl)amino]methylene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one Formula: C24H26ClN3O MolecularWeight: 407.93574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(=CN(C)C3CCCCC3)C1=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=N/C(=C/N(C)C3CCCCC3)/C1=O)C4=CC=CC=C4

InChI

InChI=1S/C24H26ClN3O/c1-27(19-11-7-4-8-12-19)16-21-24(29)28(2)22-14-13-18(25)15-20(22)23(26-21)17-9-5-3-6-10-17/h3,5-6,9-10,13-16,19H,4,7-8,11-12H2,1-2H3/b21-16+