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

Systemtic Name: methyl (2Z)-4-(dimethylamino)-2-[(5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]butanoate Openeye Name: methyl (2Z)-4-(dimethylamino)-2-[(5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]butanoate CAS Name: (2Z)-4-(dimethylamino)-2-[(5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]butanoic acid methyl ester IUPAC Name: methyl (2Z)-4-(dimethylamino)-2-[(5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]butanoate Traditional Name: (2Z)-4-(dimethylamino)-2-[(5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]butyric acid methyl ester Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(=NNC1=NC2=CC=CC=C2C(=NC1)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN(C)CC/C(=N/NC1=NC2=CC=CC=C2C(=NC1)C3=CC=CC=C3)/C(=O)OC

InChI

InChI=1S/C22H25N5O2/c1-27(2)14-13-19(22(28)29-3)25-26-20-15-23-21(16-9-5-4-6-10-16)17-11-7-8-12-18(17)24-20/h4-12H,13-15H2,1-3H3,(H,24,26)/b25-19-