2-[[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]-7-chloranyl-quinazolin-4-olate

Systemtic Name: 2-[[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]-7-chloranyl-quinazolin-4-olate Openeye Name: 2-[[[2-(azepan-1-yl)-2-oxo-ethyl]-ethyl-ammonio]methyl]-7-chloro-quinazolin-4-olate CAS Name: 2-[[[2-(1-azepanyl)-2-oxoethyl]-ethylammonio]methyl]-7-chloro-4-quinazolinolate IUPAC Name: 2-[[[2-(azepan-1-yl)-2-oxoethyl]-ethylazaniumyl]methyl]-7-chloroquinazolin-4-olate Traditional Name: 2-[[[2-(azepan-1-yl)-2-keto-ethyl]-ethyl-ammonio]methyl]-7-chloro-quinazolin-4-olate Formula: C19H25ClN4O2 MolecularWeight: 376.8804

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)N3CCCCCC3

Isomeric SMILES

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)N3CCCCCC3

InChI

InChI=1S/C19H25ClN4O2/c1-2-23(13-18(25)24-9-5-3-4-6-10-24)12-17-21-16-11-14(20)7-8-15(16)19(26)22-17/h7-8,11H,2-6,9-10,12-13H2,1H3,(H,21,22,26)