2-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]ethyl]-5-methyl-3-phenyl-5H-1,2-oxazole-4-carboxamide

Systemtic Name: 2-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]ethyl]-5-methyl-3-phenyl-5H-1,2-oxazole-4-carboxamide Openeye Name: 2-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]ethyl]-5-methyl-3-phenyl-5H-isoxazole-4-carboxamide CAS Name: 2-[2-[[4-(1-azepanyl)-2-pyrimidinyl]amino]ethyl]-5-methyl-3-phenyl-5H-isoxazole-4-carboxamide IUPAC Name: 2-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]ethyl]-5-methyl-3-phenyl-5H-1,2-oxazole-4-carboxamide Traditional Name: 2-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]ethyl]-5-methyl-3-phenyl-3-isoxazoline-4-carboxamide Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(N(O1)CCNC2=NC=CC(=N2)N3CCCCCC3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC1C(=C(N(O1)CCNC2=NC=CC(=N2)N3CCCCCC3)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C23H30N6O2/c1-17-20(22(24)30)21(18-9-5-4-6-10-18)29(31-17)16-13-26-23-25-12-11-19(27-23)28-14-7-2-3-8-15-28/h4-6,9-12,17H,2-3,7-8,13-16H2,1H3,(H2,24,30)(H,25,26,27)