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

Systemtic Name: 2-(4-methoxyphenyl)-3-[5-(2,3,6-trimethylphenoxy)pentyl]quinazolin-4-one Openeye Name: 2-(4-methoxyphenyl)-3-[5-(2,3,6-trimethylphenoxy)pentyl]quinazolin-4-one CAS Name: 2-(4-methoxyphenyl)-3-[5-(2,3,6-trimethylphenoxy)pentyl]-4-quinazolinone IUPAC Name: 2-(4-methoxyphenyl)-3-[5-(2,3,6-trimethylphenoxy)pentyl]quinazolin-4-one Traditional Name: 2-(4-methoxyphenyl)-3-[5-(2,3,6-trimethylphenoxy)pentyl]quinazolin-4-one Formula: C29H32N2O3 MolecularWeight: 456.57598

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O3/c1-20-12-13-21(2)27(22(20)3)34-19-9-5-8-18-31-28(23-14-16-24(33-4)17-15-23)30-26-11-7-6-10-25(26)29(31)32/h6-7,10-17H,5,8-9,18-19H2,1-4H3