N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(1R)-1-[4-(1-imidazolyl)phenyl]ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H17N5O2/c1-13(14-6-8-15(9-7-14)25-11-10-21-12-25)22-20(27)18-16-4-2-3-5-17(16)19(26)24-23-18/h2-13H,1H3,(H,22,27)(H,24,26)/t13-/m1/s1