methyl (2Z)-2-[(7-chloranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-5-(dimethylamino)pentanoate

Systemtic Name: methyl (2Z)-2-[(7-chloranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-5-(dimethylamino)pentanoate Openeye Name: methyl (2Z)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]-5-(dimethylamino)pentanoate CAS Name: (2Z)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-5-(dimethylamino)pentanoic acid methyl ester IUPAC Name: methyl (2Z)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-5-(dimethylamino)pentanoate Traditional Name: (2Z)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]-5-(dimethylamino)valeric acid methyl ester Formula: C23H26ClN5O2 MolecularWeight: 439.93784

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(=NNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN(C)CCC/C(=N/NC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3)/C(=O)OC

InChI

InChI=1S/C23H26ClN5O2/c1-29(2)13-7-10-20(23(30)31-3)27-28-21-15-25-22(16-8-5-4-6-9-16)18-14-17(24)11-12-19(18)26-21/h4-6,8-9,11-12,14H,7,10,13,15H2,1-3H3,(H,26,28)/b27-20-