2-[(1R)-1-cyano-2-oxidanylidene-5-(phenethylazaniumyl)pentyl]quinazolin-4-olate

Systemtic Name: 2-[(1R)-1-cyano-2-oxidanylidene-5-(phenethylazaniumyl)pentyl]quinazolin-4-olate Openeye Name: 2-[(1R)-1-cyano-2-oxo-5-(phenethylammonio)pentyl]quinazolin-4-olate CAS Name: 2-[(1R)-1-cyano-2-oxo-5-(phenethylammonio)pentyl]-4-quinazolinolate IUPAC Name: 2-[(1R)-1-cyano-2-oxo-5-(phenethylazaniumyl)pentyl]quinazolin-4-olate Traditional Name: 2-[(1R)-1-cyano-2-keto-5-(phenethylammonio)pentyl]quinazolin-4-olate Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH2+]CCCC(=O)C(C#N)C2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC[NH2+]CCCC(=O)[C@H](C#N)C2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C22H22N4O2/c23-15-18(21-25-19-10-5-4-9-17(19)22(28)26-21)20(27)11-6-13-24-14-12-16-7-2-1-3-8-16/h1-5,7-10,18,24H,6,11-14H2,(H,25,26,28)/t18-/m0/s1