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

Systemtic Name: methyl (2E)-2-[(7-chloranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-5-morpholin-4-yl-pentanoate Openeye Name: methyl (2E)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]-5-morpholino-pentanoate CAS Name: (2E)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-5-(4-morpholinyl)pentanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-5-morpholin-4-ylpentanoate Traditional Name: (2E)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]-5-morpholino-valeric acid methyl ester Formula: C25H28ClN5O3 MolecularWeight: 481.97452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=NNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3)CCCN4CCOCC4

Isomeric SMILES

COC(=O)/C(=N/NC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3)/CCCN4CCOCC4

InChI

InChI=1S/C25H28ClN5O3/c1-33-25(32)22(8-5-11-31-12-14-34-15-13-31)29-30-23-17-27-24(18-6-3-2-4-7-18)20-16-19(26)9-10-21(20)28-23/h2-4,6-7,9-10,16H,5,8,11-15,17H2,1H3,(H,28,30)/b29-22+