N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C

Isomeric SMILES

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C

InChI

InChI=1S/C22H22N6O2/c1-4-27-13-23-25-20(27)15-8-7-9-16(12-15)24-21(29)19-17-10-5-6-11-18(17)22(30)28(26-19)14(2)3/h5-14H,4H2,1-3H3,(H,24,29)