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

Systemtic Name: 3-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 3-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxo-propyl]quinazolin-4-one CAS Name: 3-[3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 3-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-keto-propyl]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)CCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCN4C=NC5=CC=CC=C5C4=O

InChI

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