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

Systemtic Name: 2-[3-[3-(3-imidazol-1-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[3-(3-imidazol-1-ylpropyl)-4-oxo-quinazolin-2-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[3-[3-(1-imidazolyl)propyl]-4-oxo-2-quinazolinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[3-(3-imidazol-1-ylpropyl)-4-keto-quinazolin-2-yl]propyl]isoindoline-1,3-quinone Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NC4=CC=CC=C4C(=O)N3CCCN5C=CN=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NC4=CC=CC=C4C(=O)N3CCCN5C=CN=C5

InChI

InChI=1S/C25H23N5O3/c31-23-18-7-1-2-8-19(18)24(32)30(23)14-5-11-22-27-21-10-4-3-9-20(21)25(33)29(22)15-6-13-28-16-12-26-17-28/h1-4,7-10,12,16-17H,5-6,11,13-15H2