2-[(3S)-2-oxidanylidene-1-(phenylmethyl)-4,5-dihydro-3H-azepin-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[(3S)-2-oxidanylidene-1-(phenylmethyl)-4,5-dihydro-3H-azepin-3-yl]isoindole-1,3-dione Openeye Name: 2-[(3S)-1-benzyl-2-oxo-4,5-dihydro-3H-azepin-3-yl]isoindoline-1,3-dione CAS Name: 2-[(3S)-2-oxo-1-(phenylmethyl)-4,5-dihydro-3H-azepin-3-yl]isoindole-1,3-dione IUPAC Name: 2-[(3S)-1-benzyl-2-oxo-4,5-dihydro-3H-azepin-3-yl]isoindole-1,3-dione Traditional Name: 2-[(3S)-1-benzyl-2-keto-4,5-dihydro-3H-azepin-3-yl]isoindoline-1,3-quinone Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C=C1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C[C@@H](C(=O)N(C=C1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N2O3/c24-19-16-10-4-5-11-17(16)20(25)23(19)18-12-6-7-13-22(21(18)26)14-15-8-2-1-3-9-15/h1-5,7-11,13,18H,6,12,14H2/t18-/m0/s1