7-bromanyl-4-(phenylmethyl)-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 7-bromanyl-4-(phenylmethyl)-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-benzyl-7-bromo-1-(1-piperidyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 7-bromo-4-(phenylmethyl)-1-(1-piperidinyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-benzyl-7-bromo-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-benzyl-7-bromo-1-piperidino-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H20BrN5O MolecularWeight: 438.3204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C3N2C4=C(C=C(C=C4)Br)C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=NN=C3N2C4=C(C=C(C=C4)Br)C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C21H20BrN5O/c22-16-9-10-18-17(13-16)19(28)26(14-15-7-3-1-4-8-15)21-24-23-20(27(18)21)25-11-5-2-6-12-25/h1,3-4,7-10,13H,2,5-6,11-12,14H2