N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]-5-(1,2,3-triazol-1-yl)pentanamide

Systemtic Name: N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]-5-(1,2,3-triazol-1-yl)pentanamide Openeye Name: N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(triazol-1-yl)pentanamide CAS Name: N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(1-triazolyl)pentanamide IUPAC Name: N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(triazol-1-yl)pentanamide Traditional Name: N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]-5-(triazol-1-yl)valeramide Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)NC(=O)CCCCN4C=CN=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)NC(=O)CCCCN4C=CN=N4

InChI

InChI=1S/C21H20N6O2/c28-19(10-3-4-12-27-13-11-22-26-27)23-16-7-5-6-15(14-16)20-17-8-1-2-9-18(17)21(29)25-24-20/h1-2,5-9,11,13-14H,3-4,10,12H2,(H,23,28)(H,25,29)