2-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]-3-chloranyl-benzenecarbonitrile

Systemtic Name: 2-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]-3-chloranyl-benzenecarbonitrile Openeye Name: 2-[(2-butyl-6-methyl-4-oxo-quinazolin-3-yl)methyl]-3-chloro-benzonitrile CAS Name: 2-[(2-butyl-6-methyl-4-oxo-3-quinazolinyl)methyl]-3-chlorobenzonitrile IUPAC Name: 2-[(2-butyl-6-methyl-4-oxoquinazolin-3-yl)methyl]-3-chlorobenzonitrile Traditional Name: 2-[(2-butyl-4-keto-6-methyl-quinazolin-3-yl)methyl]-3-chloro-benzonitrile Formula: C21H20ClN3O MolecularWeight: 365.856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=C(C=CC=C3Cl)C#N

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=C(C=CC=C3Cl)C#N

InChI

InChI=1S/C21H20ClN3O/c1-3-4-8-20-24-19-10-9-14(2)11-16(19)21(26)25(20)13-17-15(12-23)6-5-7-18(17)22/h5-7,9-11H,3-4,8,13H2,1-2H3