2-[2-[(2S)-6-azanyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(2S)-6-azanyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(2S)-6-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(2S)-6-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(2S)-6-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(2S)-6-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]isoindoline-1,3-quinone Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)N)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC[C@H]1CN(C2=C(O1)C=CC(=C2)N)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H21N3O3/c1-2-14-12-22(17-11-13(21)7-8-18(17)26-14)9-10-23-19(24)15-5-3-4-6-16(15)20(23)25/h3-8,11,14H,2,9-10,12,21H2,1H3/t14-/m0/s1