2-[2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C28H30N5O2+ MolecularWeight: 468.5701

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2/c29-25(34)19-33-26(30-24-14-8-7-13-23(24)28(33)35)20-31-15-17-32(18-16-31)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,27H,15-20H2,(H2,29,34)/p+1