3-[4-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one

Systemtic Name: 3-[4-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one Openeye Name: 3-[4-oxo-4-[4-[2-(p-tolyl)ethyl]-1-piperidyl]butyl]quinazolin-4-one CAS Name: 3-[4-[4-[2-(4-methylphenyl)ethyl]-1-piperidinyl]-4-oxobutyl]-4-quinazolinone IUPAC Name: 3-[4-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]quinazolin-4-one Traditional Name: 3-[4-keto-4-[4-[2-(p-tolyl)ethyl]piperidino]butyl]quinazolin-4-one Formula: C26H31N3O2 MolecularWeight: 417.54324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H31N3O2/c1-20-8-10-21(11-9-20)12-13-22-14-17-28(18-15-22)25(30)7-4-16-29-19-27-24-6-3-2-5-23(24)26(29)31/h2-3,5-6,8-11,19,22H,4,7,12-18H2,1H3