(3E)-7-chloranyl-1-methyl-3-(morpholin-4-ylmethylidene)-5-phenyl-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-7-chloranyl-1-methyl-3-(morpholin-4-ylmethylidene)-5-phenyl-1,4-benzodiazepin-2-one Openeye Name: (3E)-7-chloro-1-methyl-3-(morpholinomethylene)-5-phenyl-1,4-benzodiazepin-2-one CAS Name: (3E)-7-chloro-1-methyl-3-(4-morpholinylmethylidene)-5-phenyl-1,4-benzodiazepin-2-one IUPAC Name: (3E)-7-chloro-1-methyl-3-(morpholin-4-ylmethylidene)-5-phenyl-1,4-benzodiazepin-2-one Traditional Name: (3E)-7-chloro-1-methyl-3-(morpholinomethylene)-5-phenyl-1,4-benzodiazepin-2-one Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(=CN3CCOCC3)C1=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=N/C(=C/N3CCOCC3)/C1=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3O2/c1-24-19-8-7-16(22)13-17(19)20(15-5-3-2-4-6-15)23-18(21(24)26)14-25-9-11-27-12-10-25/h2-8,13-14H,9-12H2,1H3/b18-14+