3-(2,4-dimethylphenyl)-2-[1-(3-methyl-4-tetradecanoyl-piperazin-1-yl)ethyl]quinazolin-4-one

Systemtic Name: 3-(2,4-dimethylphenyl)-2-[1-(3-methyl-4-tetradecanoyl-piperazin-1-yl)ethyl]quinazolin-4-one Openeye Name: 3-(2,4-dimethylphenyl)-2-[1-(3-methyl-4-tetradecanoyl-piperazin-1-yl)ethyl]quinazolin-4-one CAS Name: 3-(2,4-dimethylphenyl)-2-[1-[3-methyl-4-(1-oxotetradecyl)-1-piperazinyl]ethyl]-4-quinazolinone IUPAC Name: 3-(2,4-dimethylphenyl)-2-[1-(3-methyl-4-tetradecanoylpiperazin-1-yl)ethyl]quinazolin-4-one Traditional Name: 3-(2,4-dimethylphenyl)-2-[1-(3-methyl-4-tetradecanoyl-piperazino)ethyl]quinazolin-4-one Formula: C37H54N4O2 MolecularWeight: 586.85026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N1CCN(CC1C)C(C)C2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)C)C

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N1CCN(CC1C)C(C)C2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)C)C

InChI

InChI=1S/C37H54N4O2/c1-6-7-8-9-10-11-12-13-14-15-16-21-35(42)40-25-24-39(27-30(40)4)31(5)36-38-33-20-18-17-19-32(33)37(43)41(36)34-23-22-28(2)26-29(34)3/h17-20,22-23,26,30-31H,6-16,21,24-25,27H2,1-5H3