2-[4-oxidanylidene-4-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]butyl]-1H-quinazolin-4-one

Systemtic Name: 2-[4-oxidanylidene-4-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]butyl]-1H-quinazolin-4-one Openeye Name: 2-[4-(4-benzyl-1,4-diazepan-4-ium-1-yl)-4-oxo-butyl]-1H-quinazolin-4-one CAS Name: 2-[4-oxo-4-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]butyl]-1H-quinazolin-4-one IUPAC Name: 2-[4-(4-benzyl-1,4-diazepan-4-ium-1-yl)-4-oxobutyl]-1H-quinazolin-4-one Traditional Name: 2-[4-(4-benzyl-1,4-diazepan-4-ium-1-yl)-4-keto-butyl]-1H-quinazolin-4-one Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c29-23(13-6-12-22-25-21-11-5-4-10-20(21)24(30)26-22)28-15-7-14-27(16-17-28)18-19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2,(H,25,26,30)/p+1