4-butyl-N-[2-chloranyl-5-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-[2-chloranyl-5-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[2-chloro-5-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[2-chloro-5-(2-methyl-4-oxo-3-quinazolinyl)phenyl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[2-chloro-5-(4-keto-2-methyl-quinazolin-3-yl)phenyl]cyclohexanecarboxamide Formula: C26H30ClN3O2 MolecularWeight: 451.9883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=C(C=CC(=C2)N3C(=NC4=CC=CC=C4C3=O)C)Cl

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=C(C=CC(=C2)N3C(=NC4=CC=CC=C4C3=O)C)Cl

InChI

InChI=1S/C26H30ClN3O2/c1-3-4-7-18-10-12-19(13-11-18)25(31)29-24-16-20(14-15-22(24)27)30-17(2)28-23-9-6-5-8-21(23)26(30)32/h5-6,8-9,14-16,18-19H,3-4,7,10-13H2,1-2H3,(H,29,31)