N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(4S)-chroman-4-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(4S)-chroman-4-yl]-4-keto-phthalazine-1-carboxamide Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O3/c29-24(26-21-14-15-31-22-13-7-6-12-20(21)22)23-18-10-4-5-11-19(18)25(30)28(27-23)16-17-8-2-1-3-9-17/h1-13,21H,14-16H2,(H,26,29)/t21-/m0/s1