2-[[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[(4-keto-1H-quinazolin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one Formula: C23H24N6O2 MolecularWeight: 416.47566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=NC(=O)C3=CC=CC=C3N2)CC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1CN(CCN(C1)CC2=NC(=O)C3=CC=CC=C3N2)CC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C23H24N6O2/c30-22-16-6-1-3-8-18(16)24-20(26-22)14-28-10-5-11-29(13-12-28)15-21-25-19-9-4-2-7-17(19)23(31)27-21/h1-4,6-9H,5,10-15H2,(H,24,26,30)(H,25,27,31)