2-[[3-(3-imidazol-1-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-(3-imidazol-1-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-(3-imidazol-1-ylpropyl)-4-oxo-quinazolin-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[3-(1-imidazolyl)propyl]-4-oxo-2-quinazolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[3-(3-imidazol-1-ylpropyl)-4-keto-quinazolin-2-yl]methyl]isoindoline-1,3-quinone Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=O)N3CCCN5C=CN=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=O)N3CCCN5C=CN=C5

InChI

InChI=1S/C23H19N5O3/c29-21-16-6-1-2-7-17(16)22(30)28(21)14-20-25-19-9-4-3-8-18(19)23(31)27(20)12-5-11-26-13-10-24-15-26/h1-4,6-10,13,15H,5,11-12,14H2