2-[(1-methyl-5-thiophen-3-yl-3H-1,2-benzodiazepin-2-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(1-methyl-5-thiophen-3-yl-3H-1,2-benzodiazepin-2-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[[1-methyl-5-(3-thienyl)-3H-1,2-benzodiazepin-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-methyl-5-(3-thiophenyl)-3H-1,2-benzodiazepin-2-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-methyl-5-thiophen-3-yl-3H-1,2-benzodiazepin-2-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[[1-methyl-5-(3-thienyl)-3H-1,2-benzodiazepin-2-yl]methyl]isoindoline-1,3-quinone Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CCN1CN3C(=O)C4=CC=CC=C4C3=O)C5=CSC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=CCN1CN3C(=O)C4=CC=CC=C4C3=O)C5=CSC=C5

InChI

InChI=1S/C23H19N3O2S/c1-24-21-9-5-4-6-18(21)17(16-11-13-29-14-16)10-12-25(24)15-26-22(27)19-7-2-3-8-20(19)23(26)28/h2-11,13-14H,12,15H2,1H3