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

Systemtic Name: 7-bromanyl-4-(2-phenoxyethyl)-1-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 7-bromo-4-(2-phenoxyethyl)-1-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 7-bromo-4-(2-phenoxyethyl)-1-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 7-bromo-4-(2-phenoxyethyl)-1-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 7-bromo-4-(2-phenoxyethyl)-1-pyrrolidino-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H20BrN5O2 MolecularWeight: 454.3198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C3N2C4=C(C=C(C=C4)Br)C(=O)N3CCOC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NN=C3N2C4=C(C=C(C=C4)Br)C(=O)N3CCOC5=CC=CC=C5

InChI

InChI=1S/C21H20BrN5O2/c22-15-8-9-18-17(14-15)19(28)26(12-13-29-16-6-2-1-3-7-16)21-24-23-20(27(18)21)25-10-4-5-11-25/h1-3,6-9,14H,4-5,10-13H2