2-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxo-propyl]-1H-quinazolin-4-one CAS Name: 2-[3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxopropyl]-1H-quinazolin-4-one Traditional Name: 2-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-keto-propyl]-1H-quinazolin-4-one Formula: C28H29N4O2+ MolecularWeight: 453.55546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C28H28N4O2/c33-26(16-15-25-29-24-14-8-7-13-23(24)28(34)30-25)31-17-19-32(20-18-31)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,27H,15-20H2,(H,29,30,34)/p+1