methyl (2E)-2-[[5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]-4-pyrrolidin-1-yl-butanoate

Systemtic Name: methyl (2E)-2-[[5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]-4-pyrrolidin-1-yl-butanoate Openeye Name: methyl (2E)-2-[[5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazono]-4-pyrrolidin-1-yl-butanoate CAS Name: (2E)-2-[[5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]-4-(1-pyrrolidinyl)butanoic acid methyl ester IUPAC Name: methyl (2E)-2-[[5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]-4-pyrrolidin-1-ylbutanoate Traditional Name: (2E)-2-[[5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazono]-4-pyrrolidino-butyric acid methyl ester Formula: C24H26ClN5O2 MolecularWeight: 451.94854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=NNC1=NC2=CC=CC=C2C(=NC1)C3=CC=CC=C3Cl)CCN4CCCC4

Isomeric SMILES

COC(=O)/C(=N/NC1=NC2=CC=CC=C2C(=NC1)C3=CC=CC=C3Cl)/CCN4CCCC4

InChI

InChI=1S/C24H26ClN5O2/c1-32-24(31)21(12-15-30-13-6-7-14-30)28-29-22-16-26-23(17-8-2-4-10-19(17)25)18-9-3-5-11-20(18)27-22/h2-5,8-11H,6-7,12-16H2,1H3,(H,27,29)/b28-21+