2-(4-chlorophenyl)-3-[5-(2,3,6-trimethylphenoxy)pentyl]quinazolin-4-one

Systemtic Name: 2-(4-chlorophenyl)-3-[5-(2,3,6-trimethylphenoxy)pentyl]quinazolin-4-one Openeye Name: 2-(4-chlorophenyl)-3-[5-(2,3,6-trimethylphenoxy)pentyl]quinazolin-4-one CAS Name: 2-(4-chlorophenyl)-3-[5-(2,3,6-trimethylphenoxy)pentyl]-4-quinazolinone IUPAC Name: 2-(4-chlorophenyl)-3-[5-(2,3,6-trimethylphenoxy)pentyl]quinazolin-4-one Traditional Name: 2-(4-chlorophenyl)-3-[5-(2,3,6-trimethylphenoxy)pentyl]quinazolin-4-one Formula: C28H29ClN2O2 MolecularWeight: 460.99506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C28H29ClN2O2/c1-19-11-12-20(2)26(21(19)3)33-18-8-4-7-17-31-27(22-13-15-23(29)16-14-22)30-25-10-6-5-9-24(25)28(31)32/h5-6,9-16H,4,7-8,17-18H2,1-3H3