4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide

Systemtic Name: 4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide Openeye Name: 4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]-N-tetrahydropyran-4-yl-cyclohexanecarboxamide CAS Name: 4-[[4-(1-benzotriazolyl)-2-pyrimidinyl]amino]-N-(4-oxanyl)-1-cyclohexanecarboxamide IUPAC Name: 4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide Traditional Name: 4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]-N-tetrahydropyran-4-yl-cyclohexanecarboxamide Formula: C22H27N7O2 MolecularWeight: 421.49548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC2CCOCC2)NC3=NC=CC(=N3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC(CCC1C(=O)NC2CCOCC2)NC3=NC=CC(=N3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H27N7O2/c30-21(24-17-10-13-31-14-11-17)15-5-7-16(8-6-15)25-22-23-12-9-20(26-22)29-19-4-2-1-3-18(19)27-28-29/h1-4,9,12,15-17H,5-8,10-11,13-14H2,(H,24,30)(H,23,25,26)