N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[[4-(1-imidazolylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[4-(imidazol-1-ylmethyl)benzyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

InChI

InChI=1S/C20H17N5O2/c26-19-17-4-2-1-3-16(17)18(23-24-19)20(27)22-11-14-5-7-15(8-6-14)12-25-10-9-21-13-25/h1-10,13H,11-12H2,(H,22,27)(H,24,26)