5-[(3E)-3-[(4-aminophenyl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-7-chloranyl-1-methyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-[(3E)-3-[(4-aminophenyl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-7-chloranyl-1-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: 5-[(3E)-3-[(4-aminophenyl)hydrazono]-4-oxo-cyclohexa-1,5-dien-1-yl]-7-chloro-1-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 5-[(3E)-3-[(4-aminophenyl)hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienyl]-7-chloro-1-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-[(3E)-3-[(4-aminophenyl)hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl]-7-chloro-1-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 5-[(3E)-3-[(4-aminophenyl)hydrazono]-4-keto-cyclohexa-1,5-dien-1-yl]-7-chloro-1-methyl-3H-1,4-benzodiazepin-2-one Formula: C22H18ClN5O2 MolecularWeight: 419.86362

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC(=NNC4=CC=C(C=C4)N)C(=O)C=C3

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=C/C(=N\NC4=CC=C(C=C4)N)/C(=O)C=C3

InChI

InChI=1S/C22H18ClN5O2/c1-28-19-8-3-14(23)11-17(19)22(25-12-21(28)30)13-2-9-20(29)18(10-13)27-26-16-6-4-15(24)5-7-16/h2-11,26H,12,24H2,1H3/b27-18+