1-(azepan-1-yl)-7-chloranyl-4-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-(azepan-1-yl)-7-chloranyl-4-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-(azepan-1-yl)-7-chloro-4-(3-pyridylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-(1-azepanyl)-7-chloro-4-(3-pyridinylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-(azepan-1-yl)-7-chloro-4-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-(azepan-1-yl)-7-chloro-4-(3-pyridylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H21ClN6O MolecularWeight: 408.88404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=O)N3CC5=CN=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=O)N3CC5=CN=CC=C5

InChI

InChI=1S/C21H21ClN6O/c22-16-7-8-18-17(12-16)19(29)27(14-15-6-5-9-23-13-15)21-25-24-20(28(18)21)26-10-3-1-2-4-11-26/h5-9,12-13H,1-4,10-11,14H2