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

Systemtic Name: N-[3-(imidazol-1-ylmethyl)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[3-(imidazol-1-ylmethyl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(1-imidazolylmethyl)phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[3-(imidazol-1-ylmethyl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[3-(imidazol-1-ylmethyl)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C26H21N5O2 MolecularWeight: 435.47724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC(=C4)CN5C=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC(=C4)CN5C=CN=C5

InChI

InChI=1S/C26H21N5O2/c32-25(28-21-10-6-9-20(15-21)16-30-14-13-27-18-30)24-22-11-4-5-12-23(22)26(33)31(29-24)17-19-7-2-1-3-8-19/h1-15,18H,16-17H2,(H,28,32)