3-[2-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[[4-(1-imidazolylmethyl)phenyl]methylamino]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-[[4-(imidazol-1-ylmethyl)benzyl]amino]-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C21H18N5O3- MolecularWeight: 388.39932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=CC=C(C=C3)CN4C=CN=C4)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=CC=C(C=C3)CN4C=CN=C4)[O-]

InChI

InChI=1S/C21H19N5O3/c27-19(13-26-21(29)18-4-2-1-3-17(18)20(28)24-26)23-11-15-5-7-16(8-6-15)12-25-10-9-22-14-25/h1-10,14H,11-13H2,(H,23,27)(H,24,28)/p-1