3-[4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]-8-methyl-quinazolin-4-one

Systemtic Name: 3-[4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]-8-methyl-quinazolin-4-one Openeye Name: 3-[4-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-4-oxo-butyl]-8-methyl-quinazolin-4-one CAS Name: 3-[4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-4-oxobutyl]-8-methyl-4-quinazolinone IUPAC Name: 3-[4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-4-oxobutyl]-8-methylquinazolin-4-one Traditional Name: 3-[4-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-4-keto-butyl]-8-methyl-quinazolin-4-one Formula: C25H29FN4O3 MolecularWeight: 452.521163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)N3CCN(CC3)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)N3CCN(CC3)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C25H29FN4O3/c1-18-5-3-6-20-24(18)27-17-30(25(20)32)10-4-7-23(31)29-13-11-28(12-14-29)16-19-8-9-22(33-2)21(26)15-19/h3,5-6,8-9,15,17H,4,7,10-14,16H2,1-2H3