3-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]carbonylphenyl]quinazolin-4-one

Systemtic Name: 3-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 3-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[[3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidinyl]-oxomethyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 3-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]quinazolin-4-one Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1C2CCCN(C2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

CN1C=NN=C1C2CCCN(C2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C23H22N6O2/c1-27-15-25-26-21(27)17-5-4-12-28(13-17)22(30)16-8-10-18(11-9-16)29-14-24-20-7-3-2-6-19(20)23(29)31/h2-3,6-11,14-15,17H,4-5,12-13H2,1H3