4-[[1-(azepan-1-yl)-7-chloranyl-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1-(azepan-1-yl)-7-chloranyl-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[1-(azepan-1-yl)-7-chloro-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]methyl]benzonitrile CAS Name: 4-[[1-(1-azepanyl)-7-chloro-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]methyl]benzonitrile IUPAC Name: 4-[[1-(azepan-1-yl)-7-chloro-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]methyl]benzonitrile Traditional Name: 4-[[1-(azepan-1-yl)-7-chloro-5-keto-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]methyl]benzonitrile Formula: C23H21ClN6O MolecularWeight: 432.90544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN6O/c24-18-9-10-20-19(13-18)21(31)29(15-17-7-5-16(14-25)6-8-17)23-27-26-22(30(20)23)28-11-3-1-2-4-12-28/h5-10,13H,1-4,11-12,15H2