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

Systemtic Name: 3-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one Openeye Name: 3-[4-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidyl]-4-oxo-butyl]quinazolin-4-one CAS Name: 3-[4-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidinyl]-4-oxobutyl]-4-quinazolinone IUPAC Name: 3-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]quinazolin-4-one Traditional Name: 3-[4-keto-4-[4-[2-(4-methoxyphenyl)ethyl]piperidino]butyl]quinazolin-4-one Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H31N3O3/c1-32-22-12-10-20(11-13-22)8-9-21-14-17-28(18-15-21)25(30)7-4-16-29-19-27-24-6-3-2-5-23(24)26(29)31/h2-3,5-6,10-13,19,21H,4,7-9,14-18H2,1H3