3-(4-ethoxyphenyl)-2-[1-[4-(3-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 3-(4-ethoxyphenyl)-2-[1-[4-(3-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]ethyl]quinazolin-4-one Openeye Name: 3-(4-ethoxyphenyl)-2-[1-[4-(3-fluorobenzoyl)-3-methyl-piperazin-1-yl]ethyl]quinazolin-4-one CAS Name: 3-(4-ethoxyphenyl)-2-[1-[4-[(3-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]ethyl]-4-quinazolinone IUPAC Name: 3-(4-ethoxyphenyl)-2-[1-[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]ethyl]quinazolin-4-one Traditional Name: 2-[1-[4-(3-fluorobenzoyl)-3-methyl-piperazino]ethyl]-3-p-phenetyl-quinazolin-4-one Formula: C30H31FN4O3 MolecularWeight: 514.590543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(C(C4)C)C(=O)C5=CC(=CC=C5)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(C(C4)C)C(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C30H31FN4O3/c1-4-38-25-14-12-24(13-15-25)35-28(32-27-11-6-5-10-26(27)30(35)37)21(3)33-16-17-34(20(2)19-33)29(36)22-8-7-9-23(31)18-22/h5-15,18,20-21H,4,16-17,19H2,1-3H3