7-chloranyl-2-[[[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[[2-(cyclopentylamino)-2-oxo-ethyl]-ethyl-ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[[2-(cyclopentylamino)-2-oxoethyl]-ethylammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[[2-(cyclopentylamino)-2-oxoethyl]-ethylazaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[[2-(cyclopentylamino)-2-keto-ethyl]-ethyl-ammonio]methyl]quinazolin-4-olate Formula: C18H23ClN4O2 MolecularWeight: 362.85382

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3CCCC3

Isomeric SMILES

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3CCCC3

InChI

InChI=1S/C18H23ClN4O2/c1-2-23(11-17(24)20-13-5-3-4-6-13)10-16-21-15-9-12(19)7-8-14(15)18(25)22-16/h7-9,13H,2-6,10-11H2,1H3,(H,20,24)(H,21,22,25)